id
int64 0
71k
| molecules
dict | messages
listlengths 3
3
| ground_truth
stringclasses 1
value |
|---|---|---|---|
400 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[O][=C][Branch1][C][O][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]"
],
"smiles": [
"CCOC(=O)C1CC1c1ccc(Br)cc1",
"O=C(O)C1CC1c1ccc(Br)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be CO .",
"role": "assistant"
}
] | |
401 | {
"selfies": [
"[C][C][=C][C][Branch2][Ring1][Ring1][C][Branch1][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=N][C][=C][Ring1][S][C][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2]",
"[C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][N][=N][C][=C][Ring1][=Branch2][C][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2]"
],
"smiles": [
"Cc1cc(C(C)NC(=O)OC(C)(C)C)ncc1-c1ccnc(C(F)(F)F)c1",
"Cc1cc(C(C)N)ncc1-c1ccnc(C(F)(F)F)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
402 | {
"selfies": [
"[C][C][=Branch1][C][=O][O]",
"[C][C][Branch1][C][C][O][C][=C][C][Branch2][Ring2][C][N][C][=N][C][Branch1][P][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][Ring1][C][N][C][=C][Ring2][Ring1][C][F][=N][NH1][Ring2][Ring1][=Branch2]",
"[C][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][F][=C][Branch1][P][N][C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][NH1][N][=Ring1][=Branch2][N][=C][Ring1][P][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]"
],
"smiles": [
"CC(=O)O",
"CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c(CN)cc2F)n[nH]1",
"CC(=O)NCc1cc(F)c(Nc2cc(OC(C)C)[nH]n2)nc1NC(C)c1ccc(F)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "C1CCOC1.ClCCl .",
"role": "assistant"
}
] | |
403 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][O][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=C]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][Ring1][O]"
],
"smiles": [
"CCOC(=O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1",
"CC(C)(C)OC(=O)N1CCC(O)(CC(=O)O)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: CO.O .",
"role": "assistant"
}
] | |
404 | {
"selfies": [
"[C][C][N][C][C][=C][N][=C][Branch1][C][Cl][S][Ring1][=Branch1]",
"[Cl][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=N][Ring1][Branch2]",
"[C][C][N][Branch1][N][C][C][=C][N][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][=N][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl]"
],
"smiles": [
"CCNCc1cnc(Cl)s1",
"Clc1ccc(Cl)c(Cl)n1",
"CCN(Cc1cnc(Cl)s1)c1nc(Cl)ccc1Cl"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be CN(C)C=O .",
"role": "assistant"
}
] | |
405 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][Ring1][C][=O][C][Branch1][C][O][=C][Ring1][=Branch2]",
"[O][=S][=Branch1][C][=O][Branch1][P][O][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch1][Ring1][C][=O][C][Branch1][P][O][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][S]"
],
"smiles": [
"COc1ccc(C=O)c(O)c1",
"O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F",
"COc1ccc(C=O)c(OS(=O)(=O)C(F)(F)F)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
406 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][S]",
"[O][=C][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][S]"
],
"smiles": [
"COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1",
"O=C(O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CO.O .",
"role": "assistant"
}
] | |
407 | {
"selfies": [
"[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]",
"[O][=C][Branch1][C][Cl][C][Br]",
"[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][O][C][=Branch1][C][=O][C][Br][C][=C][Ring1][O]"
],
"smiles": [
"CC(=O)Nc1ccc(O)cc1",
"O=C(Cl)CBr",
"CC(=O)Nc1ccc(OC(=O)CBr)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: C1CCOC1 .",
"role": "assistant"
}
] | |
408 | {
"selfies": [
"[C][N][C][C][N][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][C][C][Ring1][N]",
"[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][#Branch2][S][C][=N][C][=C][N][Ring1][Branch1][C][C][Branch1][C][Cl][=C][Ring1][=C][C][Branch1][Ring1][C][#N][=C][N][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][O][F]",
"[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][#Branch2][S][C][=N][C][=C][N][Ring1][Branch1][C][C][Branch1][C][Cl][=C][Ring1][=C][C][Branch1][Ring1][C][#N][=C][N][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][O][N][C][C][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][C][Ring1][=N]"
],
"smiles": [
"CN1CCN(C2CCNCC2)CC1",
"COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(C#N)cnc2cc1F",
"COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(C#N)cnc2cc1N1CCC(N2CCN(C)CC2)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "CN1CCCC1=O .",
"role": "assistant"
}
] | |
409 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch2][Ring1][#Branch1][C][=C][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][=C][C][S][C][Ring2][Ring2][#Branch1][Ring2][Ring2][Ring2]",
"[N][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch2][Ring1][#Branch1][C][=C][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][=C][C][S][C][Ring2][Ring2][#Branch1][Ring2][Ring2][Ring2]"
],
"smiles": [
"CC(C)(C)OC(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(c3cnc(NC(=O)c4cccnc4)s3)CSC12",
"NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(c3cnc(NC(=O)c4cccnc4)s3)CSC12"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "CC#N .",
"role": "assistant"
}
] | |
410 | {
"selfies": [
"[C][N]",
"[O][=S][=Branch1][C][=O][Branch1][C][Cl][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]"
],
"smiles": [
"CN",
"O=S(=O)(Cl)c1ccc(Br)cc1",
"CNS(=O)(=O)c1ccc(Br)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
411 | {
"selfies": [
"[C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1]",
"[C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][N]"
],
"smiles": [
"COc1ncccc1[N+](=O)[O-]",
"COc1ncccc1N"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be CO .",
"role": "assistant"
}
] | |
412 | {
"selfies": [
"[C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][O]",
"[O][=S][Branch1][C][Cl][Cl]",
"[C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][Cl]"
],
"smiles": [
"CCc1nc2ccccc2c(=O)n1CCO",
"O=S(Cl)Cl",
"CCc1nc2ccccc2c(=O)n1CCCl"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "CCCCCC .",
"role": "assistant"
}
] | |
413 | {
"selfies": [
"[C][C][Branch1][C][C][O][C][C][O][C][=N][C][Branch1][C][Cl][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][#N]",
"[O][B][O][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2]",
"[C][C][Branch1][C][C][O][C][C][O][C][=N][C][Branch2][Ring1][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][B][Ring1][=Branch1][O][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][Branch1][C][#N]"
],
"smiles": [
"CC(C)OCCOc1nc(Cl)c(C(F)(F)F)cc1C#N",
"OB1OCc2cc(O)ccc21",
"CC(C)OCCOc1nc(Oc2ccc3c(c2)COB3O)c(C(F)(F)F)cc1C#N"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CS(C)=O .",
"role": "assistant"
}
] | |
414 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][N+1][Branch1][C][O-1][=C][Ring1][Branch2]",
"[O][=C][Branch1][#Branch2][N][C][C][C][N][C][C][Ring1][=Branch1][C][=N][N][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][Ring1][=N]",
"[C][O][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring2][Branch1][N][C][C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=N][N][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][Ring1][=N][C][C][Ring2][Ring1][=Branch1][N+1][Branch1][C][O-1][=C][Ring2][Ring1][=N]"
],
"smiles": [
"COC(=O)Cc1ccc(Cl)[n+]([O-])c1",
"O=C(NC1CCNCC1)c1nnc(Nc2ccccc2F)o1",
"COC(=O)Cc1ccc(N2CCC(NC(=O)c3nnc(Nc4ccccc4F)o3)CC2)[n+]([O-])c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "CCC(C)(C)O .",
"role": "assistant"
}
] | |
415 | {
"selfies": [
"[C][O][C][=C][C][Branch1][C][N][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O]",
"[N][C][C][C][C][C][N][Branch1][Branch1][C][C][Ring1][#Branch1][C][Ring1][Branch2]",
"[C][O][C][=C][C][Branch1][C][N][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][Branch1][C][C][Ring1][#Branch1][C][Ring1][Branch2]"
],
"smiles": [
"COc1cc(N)c(Cl)cc1C(=O)O",
"NCC12CCCN(CC1)C2",
"COc1cc(N)c(Cl)cc1C(=O)NCC12CCCN(CC1)C2"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
416 | {
"selfies": [
"[C][C][Branch1][C][C][C][=N][C][=C][Branch2][Ring2][Ring1][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][=N][C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][N][C][C][Ring2][Ring1][Branch2][Branch1][C][C][C]",
"[O][=C][Branch1][C][Cl][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]",
"[C][C][Branch1][C][C][C][=N][C][=C][Branch2][Ring2][Ring1][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][=N][C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring2][C][Branch1][C][C][C]"
],
"smiles": [
"CC(C)c1nc2c(c(-c3ccc(F)cc3)c1C(OC(C)(C)C)C(=O)O)CNCC2(C)C",
"O=C(Cl)Cc1ccc(F)cc1",
"CC(C)c1nc2c(c(-c3ccc(F)cc3)c1C(OC(C)(C)C)C(=O)O)CN(C(=O)Cc1ccc(F)cc1)CC2(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be ClCCl .",
"role": "assistant"
}
] | |
417 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][O][C][C][Branch1][C][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O][=N+1][Branch1][C][O-1][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][Cl]",
"[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][O][C][C][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=N][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1]"
],
"smiles": [
"CC(C)(C)[Si](C)(C)OCC(N)COCc1ccccc1",
"O=[N+]([O-])c1cnc2ccccc2c1Cl",
"CC(C)(C)[Si](C)(C)OCC(COCc1ccccc1)Nc1c([N+](=O)[O-])cnc2ccccc12"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
418 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[O][=C][Branch1][C][O][C][C][C][C][C][N][C][C][Ring1][=Branch1]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][C][Ring1][O]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"O=C(O)CCC1CCNCC1",
"CC(C)(C)OC(=O)N1CCC(CCC(=O)O)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CC(C)(C)O .",
"role": "assistant"
}
] | |
419 | {
"selfies": [
"[C][C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S][C][N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][N][=C][Ring1][Branch2][O][Ring2][Ring1][N]",
"[O][=C][Branch1][C][Cl][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][Branch2][Ring2][=C][C][N][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch2][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch2][C][N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][N][=C][Ring1][Branch2][O][Ring2][Ring2][=Branch1]"
],
"smiles": [
"CC1(Cn2c(=O)n(C3CCNCC3)c3ccccc32)Cn2cc([N+](=O)[O-])nc2O1",
"O=C(Cl)OCc1ccccc1",
"CC1(Cn2c(=O)n(C3CCN(C(=O)OCc4ccccc4)CC3)c3ccccc32)Cn2cc([N+](=O)[O-])nc2O1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
420 | {
"selfies": [
"[C][N][C][=N][C][Branch1][S][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][F][=C][Ring1][=Branch2][=C][C][Branch1][=C][N][C][C][Branch1][Ring1][C][O][O][C][C][Ring1][Branch2][C][=N][Ring2][Ring1][Branch2]",
"[N][N]",
"[C][N][C][=N][C][Branch1][P][C][=C][C][=C][C][Branch1][C][N][=N][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][C][Branch1][=C][N][C][C][Branch1][Ring1][C][O][O][C][C][Ring1][Branch2][C][=N][Ring2][Ring1][=Branch2]"
],
"smiles": [
"CNc1nc(-c2ccc(C#N)c(F)c2)cc(N2CC(CO)OCC2C)n1",
"NN",
"CNc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CC(CO)OCC2C)n1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "CCO .",
"role": "assistant"
}
] | |
421 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][Cl]",
"[C][C][=C][Branch1][Ring1][C][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[C][C][=C][Branch1][Ring1][C][C][C][Branch2][Ring1][C][C][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]"
],
"smiles": [
"CC(C)(C)[Si](C)(C)Cl",
"CC=C(CC)C(CO)NC(=O)OC(C)(C)C",
"CC=C(CC)C(CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be CCOCC.ClCCl .",
"role": "assistant"
}
] | |
422 | {
"selfies": [
"[C][O]",
"[O][=C][Branch1][C][O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2]",
"[C][O][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2]"
],
"smiles": [
"CO",
"O=C(O)C1CCc2ccccc21",
"COC(=O)C1CCc2ccccc21"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
423 | {
"selfies": [
"[C][Si][Branch1][C][C][Branch1][C][C][C][#C][C][=C][C][=C][Branch1][C][N][N][=C][Ring1][#Branch1]",
"[C][#C][C][=C][C][=C][Branch1][C][N][N][=C][Ring1][#Branch1]"
],
"smiles": [
"C[Si](C)(C)C#Cc1ccc(N)nc1",
"C#Cc1ccc(N)nc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
424 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][Cl]",
"[C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Branch1][Ring1][C][O][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][Ring1][=N]",
"[C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Branch2][Ring1][C][C][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][Ring2][Ring1][Ring2]"
],
"smiles": [
"CC(C)(C)[Si](C)(C)Cl",
"CC(c1ccccc1)N1CC(CO)C(C(=O)NC2CC2)C1",
"CC(c1ccccc1)N1CC(CO[Si](C)(C)C(C)(C)C)C(C(=O)NC2CC2)C1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
425 | {
"selfies": [
"[N][C][C][C][C][C][C][Ring1][=Branch1]",
"[O][=C][Branch1][C][Cl][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F]",
"[O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F]"
],
"smiles": [
"NC1CCCCC1",
"O=C(Cl)c1ccc(Br)cc1F",
"O=C(NC1CCCCC1)c1ccc(Br)cc1F"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
426 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][O][C][C][N][Branch1][C][C][C]",
"[C][O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][O][C][C][N][Branch1][C][C][C]"
],
"smiles": [
"COc1ccc([N+](=O)[O-])cc1OCCN(C)C",
"COc1ccc(N)cc1OCCN(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CCO .",
"role": "assistant"
}
] | |
427 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][Cl]",
"[C][O][C][=C][C][=C][C][Branch1][Ring2][C][C][N][=C][Ring1][=Branch2]",
"[C][C][O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2]"
],
"smiles": [
"CCOC(=O)Cl",
"COc1cccc(CCN)c1",
"CCOC(=O)NCCc1cccc(OC)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
428 | {
"selfies": [
"[F][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][#Branch1][F]",
"[O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]",
"[O][C][=C][C][=C][Branch1][=C][O][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][C][=C][Ring1][#C]"
],
"smiles": [
"Fc1cc(Cl)cnc1F",
"Oc1ccc(O)cc1",
"Oc1ccc(Oc2ncc(Cl)cc2F)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be CS(C)=O .",
"role": "assistant"
}
] | |
429 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Br]",
"[O][C][C][O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][Branch1][O][C][C][O][=C][Ring1][#Branch2]"
],
"smiles": [
"CC(C)(C)OC(=O)CBr",
"OCCOc1cccc(O)c1",
"CC(C)(C)OC(=O)COc1cccc(OCCO)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
430 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O][C][C][C][C][C][C][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"CCOC(=O)CC1CCCc2c1cnn2-c1ccccc1",
"OCCC1CCCc2c1cnn2-c1ccccc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be C1CCOC1 .",
"role": "assistant"
}
] | |
431 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][Cl]",
"[N][C][=C][C][=C][C][Branch1][C][F][=N][Ring1][#Branch1]",
"[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=N][Ring1][#Branch1]"
],
"smiles": [
"CC(C)(C)C(=O)Cl",
"Nc1cccc(F)n1",
"CC(C)(C)C(=O)Nc1cccc(F)n1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "c1ccncc1 .",
"role": "assistant"
}
] | |
432 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1]",
"[N][C][=C][C][=C][C][Branch1][=Branch1][B][Branch1][C][O][O][=C][Ring1][=Branch2]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][O][C][=C][N][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][=C][Ring1][=N]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CCCC1COc1cncc(Br)c1",
"Nc1cccc(B(O)O)c1",
"CC(C)(C)OC(=O)N1CCCC1COc1cncc(-c2cccc(N)c2)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "Cc1ccccc1 .",
"role": "assistant"
}
] | |
433 | {
"selfies": [
"[C][C][C][Branch1][=Branch1][C][C][N][Ring1][=Branch1][O][C][C][O][Ring1][Branch2]",
"[O][=C][Branch1][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][=C][C][=C][C][=C][C][Branch1][C][Cl][=N][C][Ring1][#Branch1][=N][Ring1][O]",
"[O][=C][Branch2][Ring2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][=C][C][=C][C][=C][C][Branch1][C][Cl][=N][C][Ring1][#Branch1][=N][Ring1][O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1]"
],
"smiles": [
"C1CC2(CCN1)OCCO2",
"O=C(O)CC1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1",
"O=C(CC1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1)N1CCC2(CC1)OCCO2"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be O .",
"role": "assistant"
}
] | |
434 | {
"selfies": [
"[C][C][N][Branch2][Branch1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][=N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1]",
"[C][I]",
"[C][C][N][Branch2][Branch1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2]"
],
"smiles": [
"CCN(C(=O)c1cc2c(cc1F)OC(C)(C)C(=O)N2CCN(Cc1ccccc1)Cc1ccccc1)C1CN(C(=O)OC(C)(C)C)CCC1c1cccc(O)c1",
"CI",
"CCN(C(=O)c1cc2c(cc1F)OC(C)(C)C(=O)N2CCN(Cc1ccccc1)Cc1ccccc1)C1CN(C(=O)OC(C)(C)C)CCC1c1cccc(OC)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CC#N .",
"role": "assistant"
}
] | |
435 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Branch1][C][C][=N][C][=C][C][=N][N][Ring1][Branch1][C][=Ring1][#Branch2][N][C][C][C][Branch1][C][C][Branch1][Branch1][C][C][Ring1][#Branch1][O][C][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][O][C][Ring2][Ring1][=Branch2]",
"[C][C][=N][C][=C][C][=N][N][Ring1][Branch1][C][=Branch2][Ring1][Branch1][=C][Ring1][=Branch2][C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][N][C][C][C][Branch1][C][C][Branch1][Branch1][C][C][Ring1][#Branch1][O][C][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][O][C][Ring2][Ring2][Ring1]"
],
"smiles": [
"CCOC(=O)C(OC(C)(C)C)c1c(C)nc2cc3nn2c1N1CCC(C)(CC1)OCCCc1cc(F)ccc1COC3",
"Cc1nc2cc3nn2c(c1C(OC(C)(C)C)C(=O)O)N1CCC(C)(CC1)OCCCc1cc(F)ccc1COC3"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "CCO .",
"role": "assistant"
}
] | |
436 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][N]",
"[O][=S][=Branch1][C][=O][Branch1][C][Cl][C][Cl]",
"[C][C][Branch1][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][Cl]"
],
"smiles": [
"CC(C)(C)N",
"O=S(=O)(Cl)CCl",
"CC(C)(C)NS(=O)(=O)CCl"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "CCOC(C)=O.CCOCC .",
"role": "assistant"
}
] | |
437 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[C][O][C][=C][C][Branch1][O][C][C][Branch1][C][N][C][=Branch1][C][=O][O][=C][C][=C][Ring1][N][O]",
"[C][O][C][=C][C][Branch2][Ring1][Branch2][C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][=C][C][=C][Ring2][Ring1][Ring1][O]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"COc1cc(CC(N)C(=O)O)ccc1O",
"COc1cc(CC(NC(=O)OC(C)(C)C)C(=O)O)ccc1O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CC(C)=O.O .",
"role": "assistant"
}
] | |
438 | {
"selfies": [
"[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N]",
"[O][=C][Branch1][C][Cl][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]",
"[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]"
],
"smiles": [
"COc1ccccc1N",
"O=C(Cl)c1ccc(C(F)(F)F)cc1",
"COc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "C1CCOC1.c1ccncc1 .",
"role": "assistant"
}
] | |
439 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][N][N][C][=C][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][C][=C][Branch1][=N][C][=C][N][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][=N][N][Ring2][Ring1][=Branch2][Ring1][=N][=C][Ring2][Ring1][S][C][C][Ring2][Ring2][Branch2]",
"[O][=C][N][C][=Branch1][C][=O][C][=Branch2][Branch1][=Branch2][=C][C][C][=N][N][C][Branch2][Ring1][Branch2][N][C][=C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][N][C][C][Ring1][=Branch1][=C][Ring1][=C][=C][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][C][=Ring2][Ring1][S][Ring2][Ring1][=N][N][Ring2][Ring2][#Branch1]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(Nc3cc(Nc4cccc(Cl)c4)nc4c(C=C5NC(=O)NC5=O)cnn34)c2)CC1",
"O=C1NC(=O)C(=Cc2cnn3c(Nc4cccc(C(=O)N5CCNCC5)c4)cc(Nc4cccc(Cl)c4)nc23)N1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be ClCCl.O=C(O)C(F)(F)F .",
"role": "assistant"
}
] | |
440 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][C][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][Branch2][Ring2][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][O]"
],
"smiles": [
"CC(C)(C)OC(=O)NC(CO)Cc1ccccc1",
"Cc1ccc(S(=O)(=O)Cl)cc1",
"Cc1ccc(S(=O)(=O)OCC(Cc2ccccc2)NC(=O)OC(C)(C)C)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
441 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][Cl]",
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]",
"[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]"
],
"smiles": [
"CC(C)(C)[Si](C)(C)Cl",
"O=[N+]([O-])c1ccc(O)cc1",
"CC(C)(C)[Si](C)(C)Oc1ccc([N+](=O)[O-])cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
442 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][Ring1][S][=O]",
"[O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][Ring1][S][=O]"
],
"smiles": [
"CC(C)(C)OC(=O)CNC(=O)C1=C(O)c2cc(Cl)ccc2C2(CCCC2)C1=O",
"O=C(O)CNC(=O)C1=C(O)c2cc(Cl)ccc2C2(CCCC2)C1=O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "O=C(O)C(F)(F)F .",
"role": "assistant"
}
] | |
443 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch2][Branch1][Branch2][C][=C][C][=C][Branch2][Ring2][N][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][=C][N][Ring1][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C][=C][Ring2][Ring1][P][C][C][C][Ring2][Ring2][Branch1]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch2][Branch1][Ring2][C][=C][C][=C][Branch2][Ring2][Branch2][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][N][=C][N][Ring1][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C][=C][Ring2][Ring1][#C][C][C][C][Ring2][Ring2][Ring1]"
],
"smiles": [
"CC(C)(C)OC(=O)NC1(c2ccc(-c3c(-c4ccc([N+](=O)[O-])cc4)nc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1",
"CC(C)(C)OC(=O)NC1(c2ccc(-c3c(-c4ccc(N)cc4)nc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "C1CCOC1.CO .",
"role": "assistant"
}
] | |
444 | {
"selfies": [
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][F][F]",
"[N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][F][F]"
],
"smiles": [
"O=[N+]([O-])c1ccccc1OCC(F)F",
"Nc1ccccc1OCC(F)F"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "CCOC(C)=O .",
"role": "assistant"
}
] | |
445 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][C][N][C][Ring1][=Branch1]",
"[Cl][C][=N][C][=C][Branch1][C][Br][C][Branch1][C][Cl][=N][Ring1][Branch2]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][N][C][=N][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][Br][C][Ring1][=C]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CCC(N)C1",
"Clc1ncc(Br)c(Cl)n1",
"CC(C)(C)OC(=O)N1CCC(Nc2nc(Cl)ncc2Br)C1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "C1COCCO1 .",
"role": "assistant"
}
] | |
446 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][#Branch1][N][C][C][Branch1][C][O][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring1][N]",
"[O][=C][Branch1][C][O][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][#Branch1][N][C][C][Branch1][C][O][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring1][N]"
],
"smiles": [
"COC(=O)c1cc(Cl)cnc1N1CC(O)(c2cccc(F)c2)C1",
"O=C(O)c1cc(Cl)cnc1N1CC(O)(c2cccc(F)c2)C1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be C1COCCO1.O .",
"role": "assistant"
}
] | |
447 | {
"selfies": [
"[C][N][Branch1][C][C][C][=O]",
"[C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2]",
"[C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=O]"
],
"smiles": [
"CN(C)C=O",
"COc1ccc(F)c(F)c1",
"COc1ccc(F)c(F)c1C=O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
448 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][O][B][Branch1][C][O][C][=C][C][Branch1][P][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][=C][C][Branch1][C][C][=C][Ring1][P][Ring2][Ring1][Branch1]",
"[C][C][=C][C][Branch1][P][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][Ring1][S][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][O][B][Ring1][=Branch2][O]"
],
"smiles": [
"CCOC(=O)CC1OB(O)c2cc(OS(=O)(=O)c3ccnn3C)cc(C)c21",
"Cc1cc(OS(=O)(=O)c2ccnn2C)cc2c1C(CC(=O)O)OB2O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CCO .",
"role": "assistant"
}
] | |
449 | {
"selfies": [
"[Br][C][Branch1][C][Br][Branch1][C][Br][Br]",
"[C][C][Branch1][C][C][Branch1][C][C][N][N][=N][C][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][=N][Ring1][=C]",
"[C][C][Branch1][C][C][Branch1][C][C][N][N][=N][C][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][C][Br][C][=C][Ring1][Branch2][=N][Ring1][=C]"
],
"smiles": [
"BrC(Br)(Br)Br",
"CC(C)(C)n1nnc(Cc2ccc(CO)cc2)n1",
"CC(C)(C)n1nnc(Cc2ccc(CBr)cc2)n1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "CCOCC .",
"role": "assistant"
}
] | |
450 | {
"selfies": [
"[C][=C][C][=Branch1][C][=O][Cl]",
"[C][N][Branch1][C][C][C][C][N][C][=C][Branch2][Ring1][=N][N][C][=N][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][=C][C][=C][NH1][C][Ring1][Branch1][=N][Ring1][P][C][=N][Ring2][Ring1][#Branch1]",
"[C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][Ring2][O][C][=N][C][Branch2][Ring1][C][N][C][C][=N][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][=Ring1][#Branch2][=N][C][NH1][C][=C][C][Ring2][Ring1][Ring2][=Ring1][Branch1][=C][Ring2][Ring1][O]"
],
"smiles": [
"C=CC(=O)Cl",
"CN(C)CCn1cc(Nc2nc(Oc3cccc(N)c3)c3cc[nH]c3n2)cn1",
"C=CC(=O)Nc1cccc(Oc2nc(Nc3cnn(CCN(C)C)c3)nc3[nH]ccc23)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be C1CCOC1 .",
"role": "assistant"
}
] | |
451 | {
"selfies": [
"[N][C][=C][C][=C][C][=C][Ring1][=Branch1][N]",
"[O][=C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[Cl][C][=C][C][=C][Branch1][S][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring1][P]"
],
"smiles": [
"Nc1ccccc1N",
"O=C(O)COc1ccc(Cl)cc1",
"Clc1ccc(OCc2nc3ccccc3[nH]2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "Cl .",
"role": "assistant"
}
] | |
452 | {
"selfies": [
"[O][=C][Branch1][C][Cl][C][=Branch1][C][=O][Cl]",
"[O][=C][Branch1][C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]",
"[O][=C][Branch1][C][Cl][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]"
],
"smiles": [
"O=C(Cl)C(=O)Cl",
"O=C(O)Cc1ccc(F)cc1",
"O=C(Cl)Cc1ccc(F)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "Cc1ccccc1 .",
"role": "assistant"
}
] | |
453 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=C]",
"[C][I]",
"[C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring1][Ring2]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1",
"CI",
"COC1(c2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
454 | {
"selfies": [
"[C][C][Branch1][C][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][N][Ring1][=N][C][=Branch1][C][=O][C][Branch1][C][O][Branch2][Ring1][P][C][C][O][Si][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][Branch1][C][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][N][Ring1][=N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][Ring2][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"CC1(C)OC2Cc3ccccc3C2N1C(=O)C(O)(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)Cc1ccccc1",
"CC1(C)OC2Cc3ccccc3C2N1C(=O)C(O)(CCO)Cc1ccccc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be C1CCOC1 .",
"role": "assistant"
}
] | |
455 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][Ring1][#Branch1][=C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2]"
],
"smiles": [
"COC(=O)c1c2cccccc-2c(-c2ccccc2)c1-c1ccc(S(C)(=O)=O)cc1",
"CS(=O)(=O)c1ccc(-c2c(C(=O)O)c3cccccc-3c2-c2ccccc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CO .",
"role": "assistant"
}
] | |
456 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][C][=C][Ring2][Ring1][Ring2]",
"[C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][C][=C][Ring2][Ring1][Ring2]"
],
"smiles": [
"CCOC(=O)CC(C)C(=O)c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1",
"CC(CC(=O)O)C(=O)c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: CO .",
"role": "assistant"
}
] | |
457 | {
"selfies": [
"[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=Branch1][C][=O][O]",
"[O][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][C][Ring2][Ring1][Branch1][Ring1][Branch1]",
"[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][C][Ring2][Ring1][=Branch1]"
],
"smiles": [
"COc1ccccc1C(C)C(=O)O",
"OC1CCC(c2ccccc2)(c2ccccc2)C2CNCC12",
"COc1ccccc1C(C)C(=O)N1CC2C(O)CCC(c3ccccc3)(c3ccccc3)C2C1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
458 | {
"selfies": [
"[O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][Branch1][C][#C][C][O][C][=C][Ring1][#Branch2][C][Ring1][P][=O]",
"[O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][Branch1][C][C][C][O][C][=C][Ring1][#Branch2][C][Ring1][P][=O]"
],
"smiles": [
"O=C(NCc1ccc(Cl)cc1)c1cn(C2CC2)c2ccc(C#CCO)cc2c1=O",
"O=C(NCc1ccc(Cl)cc1)c1cn(C2CC2)c2ccc(CCCO)cc2c1=O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be C1CCOC1 .",
"role": "assistant"
}
] | |
459 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][Cl]",
"[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][S][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring2]",
"[C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][S][C][C][Branch1][#C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][#Branch2]"
],
"smiles": [
"CC(C)(C)C(=O)Cl",
"COc1ccc(CSCC(CO)NC(=O)OC(C)(C)C)cc1",
"COc1ccc(CSCC(COC(=O)C(C)(C)C)NC(=O)OC(C)(C)C)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be ClCCl .",
"role": "assistant"
}
] | |
460 | {
"selfies": [
"[C][O][C][=C][C][Branch1][Ring1][C][=O][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][O][O]",
"[O][=C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][O]"
],
"smiles": [
"COc1cc(C=O)cc([N+](=O)[O-])c1O",
"O=Cc1cc(O)c(O)c([N+](=O)[O-])c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
461 | {
"selfies": [
"[C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][#Branch1][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][C][=C][Branch2][Branch1][O][C][Branch2][Branch1][C][N][C][=C][C][=C][C][Branch2][Ring1][=C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=N][C][=C][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][=C][Ring2][Ring2][Ring2][C][=C][Ring2][Ring2][P][C][#N]",
"[C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][#Branch1][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][C][=C][Branch2][Branch1][O][C][Branch2][Branch1][C][N][C][=C][C][=C][C][Branch2][Ring1][=C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=N][C][=C][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][=C][Ring2][Ring2][Ring2][C][=C][Ring2][Ring2][P][C][N]"
],
"smiles": [
"CCS(=O)(=O)c1ccc(NC(=O)N(C)CCc2ccc(C(Nc3ccc4c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc4c3)C(=O)O)cc2)cc1C#N",
"CCS(=O)(=O)c1ccc(NC(=O)N(C)CCc2ccc(C(Nc3ccc4c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc4c3)C(=O)O)cc2)cc1CN"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CO .",
"role": "assistant"
}
] | |
462 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][Cl]",
"[C][O][C][=C][C][=C][Branch1][O][C][C][N][C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C]",
"[C][O][C][=Branch1][C][=O][N][Branch1][#C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][C][C][C][Ring1][Branch1]"
],
"smiles": [
"COC(=O)Cl",
"COc1ccc(CCNC2CCCC2)cc1",
"COC(=O)N(CCc1ccc(OC)cc1)C1CCCC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CCOCC .",
"role": "assistant"
}
] | |
463 | {
"selfies": [
"[C][O]",
"[O][=C][Branch1][C][O][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch1][O][C][O][Ring1][Branch1]",
"[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch1][O][C][O][Ring1][Branch1]"
],
"smiles": [
"CO",
"O=C(O)c1c(Br)ccc2c1OCO2",
"COC(=O)c1c(Br)ccc2c1OCO2"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CO .",
"role": "assistant"
}
] | |
464 | {
"selfies": [
"[C][C][Branch1][C][C][C][C][N][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N]",
"[C][C][Branch1][C][C][C][C][N][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][C][C][N][C][C][Ring1][=Branch1]"
],
"smiles": [
"CC(C)CCN(c1ccc(OCC2CCCCC2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1",
"CC(C)CCN(c1ccc(OCC2CCCCC2)cc1)C1CCNCC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
465 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][S][C][C][C][Branch1][C][O][C][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][P][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C]",
"[O][=C][Branch1][C][O][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][Ring2][C][C][C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C]"
],
"smiles": [
"CC(C)(C)c1ccc(CCC(O)CC2CCCCC2)cc1NC(=O)CC1c2ccccc2Oc2ccccc21",
"O=C(O)CCC(=O)OCc1ccccc1",
"CC(C)(C)c1ccc(CCC(CC2CCCCC2)OC(=O)CCC(=O)OCc2ccccc2)cc1NC(=O)CC1c2ccccc2Oc2ccccc21"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be C1CCOC1.CCOC(C)=O .",
"role": "assistant"
}
] | |
466 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][N][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch2][Ring2][Branch1][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][#C][O][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][=C][Ring1][#C][C][=C][C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][=C]",
"[C][C][C][Branch1][Ring1][C][C][Branch2][Ring1][N][C][=C][C][=C][Branch1][#C][O][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][=C][Ring1][#C][C][=C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][N][C][C][=Branch1][C][=O][O][C][=C][C][Ring1][=C][=C][Ring2][Ring1][C]"
],
"smiles": [
"CCOC(=O)CNCC(=O)c1ccc2cc(C(CC)(CC)c3ccc(OCC(=O)C(C)(C)C)c(C)c3)ccc2c1",
"CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc2cc(C(=O)CNCC(=O)O)ccc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "C1CCOC1.CCO .",
"role": "assistant"
}
] | |
467 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch2][Ring2][=C][C][=C][C][=C][Branch2][Ring2][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Branch1][N][C][=C][C][NH1][N][=C][C][=Ring1][Branch1][Ring1][=Branch2][C][Ring2][Ring1][Ring1][=O][C][=C][Ring2][Ring1][#Branch2][C][C][C][Ring2][Ring1][=C]",
"[C][I]",
"[C][N][N][=C][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][N][C][=C][Ring2][Ring1][C][C][=Branch1][C][=O][C][Ring2][Ring1][#C][=C][C][=C][Ring2][Ring2][Ring1][Ring2][Ring2][=Branch1]"
],
"smiles": [
"CC(C)(C)OC(=O)NC1(c2ccc(-c3c(-c4ccccc4)oc4c(ccc5[nH]ncc54)c3=O)cc2)CCC1",
"CI",
"Cn1ncc2c3oc(-c4ccccc4)c(-c4ccc(C5(NC(=O)OC(C)(C)C)CCC5)cc4)c(=O)c3ccc21"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be CN(C)C=O .",
"role": "assistant"
}
] | |
468 | {
"selfies": [
"[C][C][C][C][C][N][=C][Branch1][C][C][N][Branch1][#C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=Branch1][C][=O][C][=Ring2][Ring1][C][C][C][=C][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][C][=C][Ring1][=C]",
"[O][=C][Branch1][C][O-1][O]",
"[NH3+1][O]",
"[C][C][C][C][C][N][=C][Branch1][C][C][N][Branch1][#C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=Branch1][C][=O][C][=Ring2][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][O][C][=Branch1][C][=O][NH1][Ring1][=Branch1][C][=C][Ring2][Ring1][C]"
],
"smiles": [
"CCCCc1nc(C)n(CC2Cc3ccccc3O2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1",
"O=C([O-])O",
"[NH3+]O",
"CCCCc1nc(C)n(CC2Cc3ccccc3O2)c(=O)c1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be CCOC(C)=O .",
"role": "assistant"
}
] | |
469 | {
"selfies": [
"[N][C][C][Branch1][N][C][C][O][C][C][C][C][C][O][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]",
"[N][C][C][Branch1][Ring2][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]"
],
"smiles": [
"NCC(CCOC1CCCCO1)c1ccc(Cl)c(Cl)c1",
"NCC(CCO)c1ccc(Cl)c(Cl)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CCOCC.CO .",
"role": "assistant"
}
] | |
470 | {
"selfies": [
"[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]",
"[O][=C][C][C][C][Branch1][P][C][N][Branch1][Ring2][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][P]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1]"
],
"smiles": [
"CS(=O)(=O)Cl",
"O=C1CCC(CN(CCO)Cc2ccccc2)N1",
"CS(=O)(=O)OCCN(Cc1ccccc1)CC1CCC(=O)N1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "CCO.ClCCl .",
"role": "assistant"
}
] | |
471 | {
"selfies": [
"[O][=C][Branch1][C][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O]",
"[O][=N+1][Branch1][C][O-1][O]",
"[O][=C][Branch1][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][O]"
],
"smiles": [
"O=C(O)c1cc(F)ccc1O",
"O=[N+]([O-])O",
"O=C(O)c1cc(F)cc([N+](=O)[O-])c1O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "O=S(=O)(O)O .",
"role": "assistant"
}
] | |
472 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1]",
"[O][=C][Branch1][C][O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1]"
],
"smiles": [
"CCOC(=O)C(Cc1ccccc1)CS(=O)(=O)C1CCCCC1",
"O=C(O)C(Cc1ccccc1)CS(=O)(=O)C1CCCCC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "Cl .",
"role": "assistant"
}
] | |
473 | {
"selfies": [
"[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][=C][C][Branch2][Ring1][Ring2][O][C][C][C][C][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring2][Ring1][Branch2]",
"[C][I]",
"[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][=C][C][Branch2][Ring1][Ring2][O][C][C][C][C][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][=Branch2]"
],
"smiles": [
"CCCCCCCCCCCCCCCCCCOc1cc(OCCCCCCc2cccc(O)c2O)cc(C(=O)O)c1",
"CI",
"CCCCCCCCCCCCCCCCCCOc1cc(OCCCCCCc2cccc(O)c2O)cc(C(=O)OC)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
474 | {
"selfies": [
"[C][C][=C][C][=Branch1][C][=O][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring2][N][Ring2][Ring1][=Branch1][C]",
"[C][C][=C][C][=Branch1][C][=O][C][Branch1][C][O][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring2][N][Ring1][#C][C]"
],
"smiles": [
"Cc1cc(=O)c(OCc2ccccc2)c(C(=O)NC2CCC2)n1C",
"Cc1cc(=O)c(O)c(C(=O)NC2CCC2)n1C"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be CCO .",
"role": "assistant"
}
] | |
475 | {
"selfies": [
"[C][C][=Branch1][C][=O][O][C][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=Branch1][C][=O][O][Ring1][=N]",
"[O][=C][O][C][Branch1][Ring1][C][O][C][N][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1]"
],
"smiles": [
"CC(=O)OCC1CN(c2ccc(Br)cn2)C(=O)O1",
"O=C1OC(CO)CN1c1ccc(Br)cn1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CO.O .",
"role": "assistant"
}
] | |
476 | {
"selfies": [
"[N][#C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[O][B][Branch1][C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]",
"[N][#C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][S]"
],
"smiles": [
"N#Cc1ccc(Cl)cc1",
"OB(O)c1ccc(C(F)(F)F)cc1",
"N#Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
477 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch1][Ring1][C][=O][=C][Ring1][Branch2][C][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1]",
"[O][=C][C][C][=C][Branch2][Ring1][C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][S]",
"[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch2][Ring1][#C][C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][=N][Ring1][P][=C][Ring2][Ring1][Branch2][C][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1]"
],
"smiles": [
"CCOC(=O)c1c(C)[nH]c(C=O)c1CCCN1CCN(C)CC1",
"O=C1Cc2c(cccc2-c2ccc(Cl)cc2)N1",
"CCOC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3cccc(-c4ccc(Cl)cc4)c32)c1CCCN1CCN(C)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "CCO .",
"role": "assistant"
}
] | |
478 | {
"selfies": [
"[N][C][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][=C][Branch1][C][Cl][N][=C][C][=C][Ring1][O][Ring1][#Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][=C][Branch1][C][Cl][N][=C][C][=C][Ring1][O][Ring1][#Branch1][N][C][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"NC1CCc2cc(F)ccc2C1Cc1ccccc1",
"O=C(Nc1cccc2c(Cl)nccc12)Oc1ccccc1",
"O=C(Nc1cccc2c(Cl)nccc12)NC1CCc2cc(F)ccc2C1Cc1ccccc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CS(C)=O .",
"role": "assistant"
}
] | |
479 | {
"selfies": [
"[C][C][Branch1][C][C][N][C][C][N][C][C][Ring1][=Branch1]",
"[C][C][=C][Branch1][C][F][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][Cl]",
"[C][C][=C][Branch1][S][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][=Branch2][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][C][Cl]"
],
"smiles": [
"CC(C)N1CCNCC1",
"Cc1c(F)ccc([N+](=O)[O-])c1Cl",
"Cc1c(N2CCN(C(C)C)CC2)ccc([N+](=O)[O-])c1Cl"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CS(C)=O .",
"role": "assistant"
}
] | |
480 | {
"selfies": [
"[C][N][C][C][=Branch1][C][=O][C][=C][Branch1][O][C][=C][N][Ring1][Branch1][C][C][C][C][Cl][S][Ring1][#C][=Branch1][C][=O][=O]",
"[F][C][=C][C][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][N]",
"[C][N][C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][#C][C][=C][N][Ring1][Branch1][C][C][C][C][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][S][Ring2][Ring1][O][=Branch1][C][=O][=O]"
],
"smiles": [
"CN1CC(=O)c2c(ccn2CCCCCl)S1(=O)=O",
"Fc1ccc(N2CCNCC2)cc1",
"CN1CC(=O)c2c(ccn2CCCCN2CCN(c3ccc(F)cc3)CC2)S1(=O)=O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: CC#N .",
"role": "assistant"
}
] | |
481 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]",
"[O][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N]",
"[C][O][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][=C][Ring2][Ring1][Branch1]"
],
"smiles": [
"COC(=O)C1CC1c1ccc(O)cc1",
"OCc1cccc(Oc2ccccc2)c1",
"COC(=O)C1CC1c1ccc(OCc2cccc(Oc3ccccc3)c2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CCCCCC.Cc1ccccc1 .",
"role": "assistant"
}
] | |
482 | {
"selfies": [
"[N][C][C][Branch1][C][F][Branch1][C][F][F]",
"[O][=C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][Ring1][=C]",
"[O][=C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Ring1][=C][C][C][Branch1][C][F][Branch1][C][F][F]"
],
"smiles": [
"NCC(F)(F)F",
"O=C1OC(=O)c2cc(C(F)(F)F)ccc21",
"O=C1c2ccc(C(F)(F)F)cc2C(=O)N1CC(F)(F)F"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CCOC(C)=O .",
"role": "assistant"
}
] | |
483 | {
"selfies": [
"[N][C][=C][C][=C][C][Branch1][Branch2][C][=C][N][=C][O][Ring1][Branch1][=C][Ring1][O]",
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][C][=C][Ring1][#Branch2]",
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][C][=C][N][=C][O][Ring1][Branch1][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1]"
],
"smiles": [
"Nc1cccc(-c2cnco2)c1",
"O=[N+]([O-])c1ccc(S(=O)(=O)Cl)cc1",
"O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3cnco3)c2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: c1ccncc1 .",
"role": "assistant"
}
] | |
484 | {
"selfies": [
"[O][=C][Branch1][Ring1][O][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][C][C][S][C][C][Ring1][=C]",
"[O][=S][C][C][C][Branch1][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Branch2]"
],
"smiles": [
"O=C(OO)c1cccc(Cl)c1",
"O=S(=O)(c1ccc(Cl)cc1)C1(c2cc(F)ccc2F)CCSCC1",
"O=S1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "CCOCC.ClCCl .",
"role": "assistant"
}
] | |
485 | {
"selfies": [
"[Cl][C][C][=C][O][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2]",
"[O][C][=C][C][=C][Branch1][O][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][=C]",
"[C][=C][S][C][Branch2][Ring2][C][C][=N][C][Branch2][Ring1][#Branch1][C][O][C][=C][C][=C][Branch1][O][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][=C][=C][O][Ring2][Ring1][Branch1][=C][Ring2][Ring1][#Branch2]"
],
"smiles": [
"ClCc1coc(-c2cccs2)n1",
"Oc1ccc(CCCn2ccnc2)cc1",
"c1csc(-c2nc(COc3ccc(CCCn4ccnc4)cc3)co2)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: CN(C)C=O .",
"role": "assistant"
}
] | |
486 | {
"selfies": [
"[Br][C][C][C][C][Ring1][Ring1]",
"[O][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O][C][C][C][Branch1][Branch1][C][C][Ring1][P][O][C][C][O][Ring1][#Branch1]",
"[C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][S][C][Branch2][Ring1][#Branch2][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][C][C][Branch1][Branch1][C][C][Ring1][O][O][C][C][O][Ring1][#Branch1][=N][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2]"
],
"smiles": [
"BrCC1CC1",
"OC1(c2nc(-c3ccccc3)cs2)CCC2(CC1)OCCO2",
"c1ccc(-c2csc(C3(OCC4CC4)CCC4(CC3)OCCO4)n2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
487 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][C][N][Branch2][Ring1][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring2][Ring1][Ring1]",
"[O][C][C][C][N][Branch2][Ring1][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring2][Ring1][Ring1]"
],
"smiles": [
"COC(=O)C1CN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)C1",
"OCC1CN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)C1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
488 | {
"selfies": [
"[C][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][S][Ring1][=Branch2]",
"[C][C][C][C][Branch1][C][N][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][S][Ring1][=Branch2]"
],
"smiles": [
"CCCC(NC(=O)OC(C)(C)C)C(=O)Nc1nnc(C(C)(C)C)s1",
"CCCC(N)C(=O)Nc1nnc(C(C)(C)C)s1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be C1COCCO1 .",
"role": "assistant"
}
] | |
489 | {
"selfies": [
"[C][N][C][Branch1][C][C][C][O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2][Cl]",
"[C][O][C][=C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F]",
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][=C][O][C][C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][C][Branch1][C][Cl][=C][Ring2][Ring2][Ring1]"
],
"smiles": [
"CNC(C)COc1ccc(C(=O)OC)cc1Cl",
"COc1cc(CC(=O)O)ccc1NC(=O)Nc1ccccc1F",
"COC(=O)c1ccc(OCC(C)N(C)C(=O)Cc2ccc(NC(=O)Nc3ccccc3F)c(OC)c2)c(Cl)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be CCOC(C)=O.CN(C)C=O .",
"role": "assistant"
}
] | |
490 | {
"selfies": [
"[C][C][C][=N][C][=C][Branch1][C][Cl][N][=C][Branch1][C][C][C][=C][Ring1][Branch2][N][Ring1][O][C][=C][C][=C][Branch1][P][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][S]",
"[C][C][C][=N][C][=C][Branch1][C][Cl][N][=C][Branch1][C][C][C][=C][Ring1][Branch2][N][Ring1][O][C][=C][C][=C][Branch1][Ring2][C][C][N][C][=C][Ring1][=Branch2]"
],
"smiles": [
"CCc1nc2c(Cl)nc(C)cc2n1-c1ccc(CCNC(=O)OC(C)(C)C)cc1",
"CCc1nc2c(Cl)nc(C)cc2n1-c1ccc(CCN)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be ClCCl .",
"role": "assistant"
}
] | |
491 | {
"selfies": [
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=N][C][Branch1][N][N][C][C][C][C][Ring1][Branch1][C][O][Ring1][Branch1][=C][C][=N][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#Branch2][=N][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O]",
"[N][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=N][C][Branch1][N][N][C][C][C][C][Ring1][Branch1][C][O][Ring1][Branch1][=C][C][=N][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#Branch2][=N][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O]"
],
"smiles": [
"O=[N+]([O-])c1ccc(-c2nc(N3CC4CC3CO4)c3cnn(CC(F)(F)F)c3n2)cc1",
"Nc1ccc(-c2nc(N3CC4CC3CO4)c3cnn(CC(F)(F)F)c3n2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: C1CCOC1.O .",
"role": "assistant"
}
] | |
492 | {
"selfies": [
"[C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][C][=C][Ring1][#Branch2][C][C][Ring1][P]",
"[C][C][C][N]",
"[C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2][C][=C][Ring1][S]"
],
"smiles": [
"CC(=O)N1CCC(Cc2ccc(S(=O)(=O)Cl)cc2)CC1",
"CCCN",
"CCCNS(=O)(=O)c1ccc(CC2CCN(C(C)=O)CC2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
493 | {
"selfies": [
"[N][C][=C][C][Branch2][Ring1][#Branch1][C][Branch1][C][F][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][S][O]",
"[O][=C][Branch1][C][O][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl]",
"[O][=C][Branch2][Ring2][Ring2][N][C][=C][C][Branch2][Ring1][#Branch1][C][Branch1][C][F][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][S][O][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl]"
],
"smiles": [
"Nc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1O",
"O=C(O)c1ccncc1Cl",
"O=C(Nc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1O)c1ccncc1Cl"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "c1ccncc1 .",
"role": "assistant"
}
] | |
494 | {
"selfies": [
"[N][C][C][C][C][C][Ring1][Branch1]",
"[O][=C][Branch1][C][O][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][=C][C][=C][Ring1][#Branch2][F]",
"[O][=C][Branch1][C][O][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][#C][F]"
],
"smiles": [
"NC1CCCC1",
"O=C(O)c1cc(S(=O)(=O)Cl)ccc1F",
"O=C(O)c1cc(S(=O)(=O)NC2CCCC2)ccc1F"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
495 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][S][Ring1][O]",
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][C][=C][Ring1][#Branch2]",
"[C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring2][Ring1][N][C][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][C][Ring2][Ring1][C][S][Ring2][Ring1][#Branch1]"
],
"smiles": [
"COC(=O)c1cnc(N2CCNCC2)s1",
"O=[N+]([O-])c1ccc(S(=O)(=O)Cl)cc1",
"COC(=O)c1cnc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)s1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be ClCCl .",
"role": "assistant"
}
] | |
496 | {
"selfies": [
"[C][C][=C][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][=C][C][Branch1][C][F][=C][C][=C][Branch1][C][N][C][Branch1][=Branch1][C][Branch1][C][N][=O][=N][N][=C][Ring1][#C][Ring1][#Branch2]",
"[O][C][C][C][N][C][C][Ring1][=Branch1]",
"[C][C][=C][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][=C][C][Branch1][N][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][=C][C][=C][Branch1][C][N][C][Branch1][=Branch1][C][Branch1][C][N][=O][=N][N][=C][Ring2][Ring1][Branch1][Ring1][#Branch2]"
],
"smiles": [
"Cc1cc2cn[nH]c2cc1-c1cc(F)cc2c(N)c(C(N)=O)nnc12",
"OC1CCNCC1",
"Cc1cc2cn[nH]c2cc1-c1cc(N2CCC(O)CC2)cc2c(N)c(C(N)=O)nnc12"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "CC(=O)N(C)C .",
"role": "assistant"
}
] | |
497 | {
"selfies": [
"[Br][C][C][C][Br]",
"[O][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]",
"[O][=C][C][=C][C][=C][Branch1][=Branch1][O][C][C][C][Br][C][=C][Ring1][O]"
],
"smiles": [
"BrCCCBr",
"O=Cc1ccc(O)cc1",
"O=Cc1ccc(OCCCBr)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be CC(C)=O .",
"role": "assistant"
}
] | |
498 | {
"selfies": [
"[C][C][=C][C][=C][Branch2][Ring2][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][Branch1][#Branch1][C][=N][N][Ring1][Branch1][C][=C][Ring1][#Branch2][N][=C][Branch1][C][Cl][N][=C][Ring2][Ring1][C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=C]",
"[N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Ring1][Branch2]",
"[C][C][=C][C][=C][Branch2][=Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][Branch1][#Branch1][C][=N][N][Ring1][Branch1][C][=C][Ring1][#Branch2][N][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Ring1][Branch2][N][=C][Ring2][Ring1][=N][Ring2][Ring1][S][C][=C][Ring2][Ring2][=Branch2]"
],
"smiles": [
"Cc1ccc(S(=O)(=O)n2ccc3c(Nc4ccc5c(cnn5C)c4)nc(Cl)nc32)cc1",
"Nc1ccc2c(c1)CCC(=O)N2",
"Cc1ccc(S(=O)(=O)n2ccc3c(Nc4ccc5c(cnn5C)c4)nc(Nc4ccc5c(c4)CCC(=O)N5)nc32)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CCCCO .",
"role": "assistant"
}
] | |
499 | {
"selfies": [
"[C][I]",
"[O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]",
"[C][O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]"
],
"smiles": [
"CI",
"Oc1c(F)cccc1F",
"COc1c(F)cccc1F"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "CC(C)=O .",
"role": "assistant"
}
] |
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