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Using n,n-dimethylformamide, 9-bromo-2-iodo-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine to produce 9-bromo-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine-2-carbaldehyde, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOCC", "C1CCOC1"], "agent": ["CC[Mg]Br"]} |
Using aceticanhydride, 3-bromo-9H-carbazole to produce 1-(3-bromo-9H-carbazol-9-yl)ethan-1-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClC(Cl)Cl"], "agent": ["O=S(=O)(O)O"]} |
Using methyl 3-hydroxy-2-((2-methoxypyrimidin-5-yl)methyl)acrylate, 3-(4-(3-(trifluoromethyl)phenoxy)phenyl)propanimidamide to produce 5-((2-methoxypyrimidin-5-yl)methyl)-2-(4-(3-(trifluoromethyl)phenoxy)phenethyl)pyrimidin-4(1H)-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["Cc1ccccc1"], "agent": ["[K+]", "CC(=O)[O-]"]} |
Using ethyl 4-(2-(1H-imidazol-1-yl)ethoxy)-3-chlorobenzoate to produce 4-(2-(1H-imidazol-1-yl)ethoxy)-3-chlorobenzoic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CC(=O)O"], "agent": ["[K+]", "[OH-]"]} |
Using (4bR,8R,8aS,9R)-3,8a-dimethoxy-8-methyl-8,8a,9,10-tetrahydro-5H-9,4b-(epiminoethano)phenanthren-6(7H)-one, (bromomethyl)cyclopropane to produce (4bR,8R,8aS,9R)-11-(cyclopropylmethyl)-3,8a-dimethoxy-8-methyl-8,8a,9,10-tetrahydro-5H-9,4b-(epiminoethano)phenanthren-6(7H)-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO"], "agent": ["O=C([O-])[O-]", "[Na+]", "Cl"]} |
Using (9-chloro-1-(2-chloro-4-methoxyphenyl)-1,2,3,4-tetrahydrobenzo[4,5]imidazo[1,2-a]pyrimidin-6-yl)methanol to produce 9-chloro-1-(2-chloro-4-methoxyphenyl)-1,2,3,4-tetrahydrobenzo[4,5]imidazo[1,2-a]pyrimidine-6-carbaldehyde, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CS(C)=O"], "agent": ["CC(=O)OI1(OC(C)=O)(OC(C)=O)OC(=O)c2ccccc21"]} |
Using N-(4'-chloro-[1,1'-biphenyl]-4-yl)propiolamide, 1-(4-iodobenzyl)piperidine to produce N-(4'-chloro-[1,1'-biphenyl]-4-yl)-3-(4-(piperidin-1-ylmethyl)phenyl)propiolamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClCCl", "CO"], "agent": ["N"]} |
Using 8a-(1H-imidazol-4-yl)-1,2,3,3a,8,8a-hexahydrocyclopenta[a]inden-3-ol to produce 4-(2,3,3a,8-tetrahydrocyclopenta[a]inden-8a(1H)-yl)-1H-imidazole, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO"], "agent": ["[H][H]", "Cl", "[Pd]"]} |
Using 3-(7-bromo-5-fluoro-2-methyl-2,3-dihydrobenzofuran-4-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione, ethynyltrimethylsilane to produce 3-(5-fluoro-2-methyl-7-((trimethylsilyl)ethynyl)-2,3-dihydrobenzofuran-4-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O", "CCN(CC)CC"], "agent": ["[Cu]I"]} |
Using 9-chloro-2-iodo-5,6-dihydroimidazo[1,2-d]pyrido[3,4-f][1,4]oxazepine, pyridin-2-ylzinc(II) to produce 9-chloro-2-(pyridin-2-yl)-5,6-dihydroimidazo[1,2-d]pyrido[3,4-f][1,4]oxazepine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Br-]", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using ethyl 2-bromoacetate, 2-chloro-1H-benzo[d]imidazole to produce ethyl 2-(2-chloro-1H-benzo[d]imidazol-1-yl)acetate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["[Na+]", "[H-]"]} |
Using 4-(4-phenylbutyl)phenyl acetate to produce 4-(4-phenylbutyl)phenol, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CO"], "agent": ["O=C([O-])[O-]", "[Na+]", "Cl"]} |
Using 2-(6-(4-bromo-1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-1H-indol-1-yl)ethan-1-ol to produce 2-(6-(4-bromo-1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoroindolin-1-yl)ethan-1-ol, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(=O)O"], "agent": ["[BH3-]C#N", "[Na+]"]} |
Using N-cyclopropyl-3-(3-(4-methoxybenzyl)-1-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)-N,4-dimethylbenzamide to produce N-cyclopropyl-N,4-dimethyl-3-(1-methyl-2-oxo-1,2-dihydroquinazolin-6-yl)benzamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O=C(O)C(F)(F)F"], "agent": ["N#CC1=C(C#N)C(=O)C(Cl)=C(Cl)C1=O"]} |
Using ethyl 4-bromobutanoate, ethyl 6-((3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)selanyl)nicotinate to produce ethyl 6-((3-(4-ethoxy-4-oxobutoxy)-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)selanyl)nicotinate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using 3-bromo-5-chloropyridin-2-amine, tert-butyl acrylate to produce tert-butyl (E)-3-(2-amino-5-chloropyridin-3-yl)acrylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCN(CC)CC"], "agent": ["Cc1ccccc1P(c1ccccc1C)c1ccccc1C", "CC(=O)[O-]", "[Pd+2]"]} |
Using 8-(pyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-one, diethyl ((4-bromophenyl)(methoxy)methyl)phosphonate to produce 3-((4-bromophenyl)(methoxy)methylene)-8-(pyrimidin-2-yl)-8-azabicyclo[3.2.1]octane, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["COCCOC"], "agent": ["[Na+]", "[H-]"]} |
Using N-(diaminophosphoryl)-4-nitrobenzamide to produce 4-amino-N-(diaminophosphoryl)benzamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["[H][H]", "[Pd]"]} |
Using 4,6-dichloropyrimidin-2-amine, 1-(3,4-difluorophenyl)-2,2,2-trifluoroethan-1-ol to produce 4-chloro-6-(1-(3,4-difluorophenyl)-2,2,2-trifluoroethoxy)pyrimidin-2-amine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Na+]", "[H-]"]} |
Using 6-(4-chlorobenzoyl)-1-methyl-4-(3-propoxyphenyl)quinolin-2(1H)-one to produce 6-((4-chlorophenyl)(hydroxy)methyl)-1-methyl-4-(3-propoxyphenyl)quinolin-2(1H)-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1", "CO"], "agent": ["[Na+]", "[BH4-]"]} |
Using tert-butyl (6-(piperidin-1-yl)pyridin-3-yl)carbamate to produce 6-(piperidin-1-yl)pyridin-3-amine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOCC"], "agent": ["Cl"]} |
Using dimethyl methylphosphonate, methyl 2-fluorohexanoate to produce dimethyl (3-fluoro-2-oxoheptyl)phosphonate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Li]CCCC"]} |
Using 3-(5-(benzyloxy)pyridin-2-yl)-1-ethyl-1H-pyrazolo[4,3-b]pyridine to produce 6-(1-ethyl-1H-pyrazolo[4,3-b]pyridin-3-yl)pyridin-3-ol, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOC(C)=O", "CO"], "agent": ["[Pd]"]} |
Using 1-benzhydrylpiperazine, 4-(1-chloroethyl)-5-methyl-2-phenyl-1H-imidazole to produce piperazine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO", "O"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using (4-(2-amino-8-isopropyl-4-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)-1H-1,2,3-triazol-1-yl)methyl diethylcarbamate to produce 2-amino-8-isopropyl-4-methyl-6-(1H-1,2,3-triazol-4-yl)pyrido[2,3-d]pyrimidin-7(8H)-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CO"], "agent": ["[Na+]", "[OH-]"]} |
Using tert-butyl (2-bromoethyl)carbamate, 1-(1-(4-fluorophenyl)cyclobutyl)-3,4-dihydroisoquinolin-7-ol to produce tert-butyl (2-((1-(1-(4-fluorophenyl)cyclobutyl)-3,4-dihydroisoquinolin-7-yl)oxy)ethyl)carbamate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCCCCC", "CN(C)C=O"], "agent": ["[Na+]", "[H-]"]} |
Using methyl 4-(4-methyl-1-(4-(4-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)pent-1-en-2-yl)benzoate to produce 4-(4-methyl-1-(4-(4-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)pent-1-en-2-yl)benzoic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1", "CO"], "agent": ["[Na+]", "[OH-]"]} |
Using perchloropyridine, (S)-2-aminopropan-1-ol to produce (S)-2-((perchloropyridin-4-yl)amino)propan-1-ol, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(C)O", "CCN(C(C)C)C(C)C"], "agent": ["CN(C)c1ccncc1"]} |
Using tripropyl borate, 6-bromo-3-ethyl-1-phenyl-1H-indazole to produce (3-ethyl-1-phenyl-1H-indazol-6-yl)boronic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Li]CCCC"]} |
Using 8-((dimethylamino)methylene)-6,8-dihydro-7H-thiazolo[5,4-e]indol-7-one, N-(3-hydroxy-2,2-dimethylpropyl)-1-(4-nitrophenyl)methanesulfonamide to produce N-(3-hydroxy-2,2-dimethylpropyl)-1-(4-(((7-oxo-6,7-dihydro-8H-thiazolo[5,4-e]indol-8-ylidene)methyl)amino)phenyl)methanesulfonamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CO"], "agent": ["Cl", "[Pd]"]} |
Using N-((4-fluorophenyl)sulfonyl)-N-isopropylglycine, (4-(5-(trifluoromethyl)pyridin-2-yl)morpholin-2-yl)methanamine to produce 2-((4-fluoro-N-isopropylphenyl)sulfonamido)-N-((4-(5-(trifluoromethyl)pyridin-2-yl)morpholin-2-yl)methyl)acetamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClCCl"], "agent": ["F[P-](F)(F)(F)(F)F", "Cl", "CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C"]} |
Using methyl 3-(2-methylpyrrolidin-1-yl)-2-phenylquinoxaline-6-carboxylate to produce 3-(2-methylpyrrolidin-1-yl)-2-phenylquinoxaline-6-carboxylic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CO"], "agent": ["[Na+]", "[OH-]"]} |
Using tert-butyl 4-(1-(but-2-yn-1-yl)-5-cyano-4-(hydroxymethyl)-1H-imidazol-2-yl)piperazine-1-carboxylate to produce tert-butyl 4-(1-(but-2-yn-1-yl)-5-cyano-4-formyl-1H-imidazol-2-yl)piperazine-1-carboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClCCl"], "agent": ["[O-2]", "[Mn+4]"]} |
Using 4-(4-(3-chloropropoxy)benzyl)cyclohexan-1-one, piperidine to produce 4-(4-(3-(piperidin-1-yl)propoxy)benzyl)cyclohexan-1-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using morpholine, 4-bromobutanenitrile to produce 4-morpholinobutanenitrile, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC#N"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using 7-methoxy-4-methyl-9-propyl-1,2,9,9a-tetrahydro-3H-fluoren-3-one to produce 7-hydroxy-4-methyl-9-propyl-1,2,9,9a-tetrahydro-3H-fluoren-3-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClCCl"], "agent": ["BrB(Br)Br"]} |
Using 3-hexyl-6-methyl-6-(3-(pyridin-2-yl)phenyl)-3-azabicyclo[3.1.0]hexan-2-one to produce 3-hexyl-6-methyl-6-(3-(pyridin-2-yl)phenyl)-3-azabicyclo[3.1.0]hexane, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Al+3]", "[Li+]", "[H-]"]} |
Using 1-methylpiperazine, tert-butyl (R)-3-((5-carbamoyl-3-chloro-6-((3-methyl-4-(4-oxopiperidin-1-yl)phenyl)amino)pyrazin-2-yl)amino)pyrrolidine-1-carboxylate to produce tert-butyl (R)-3-((5-carbamoyl-3-chloro-6-((3-methyl-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)amino)pyrazin-2-yl)amino)pyrrolidine-1-carboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClCCCl", "ClC(Cl)Cl"], "agent": ["[Na+]", "CC(=O)O[BH-](OC(C)=O)OC(C)=O"]} |
Using 1-bromo-4-phenylnaphthalene, phenylboronic acid to produce (4-phenylnaphthalen-1-yl)boronic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOCC", "Cc1ccccc1"], "agent": ["Cl"]} |
Using 4,6-dichloro-5-methoxypyrimidine, (5-(2-fluoro-5-methoxyphenyl)-6-neopentylpyridin-2-yl)methanol to produce 4-chloro-6-((5-(2-fluoro-5-methoxyphenyl)-6-neopentylpyridin-2-yl)methoxy)-5-methoxypyrimidine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Na+]", "Cl", "[H-]"]} |
Using methyl N<font face="Symbol">a</font>-((adamantan-2-yloxy)carbonyl)-N<font face="Symbol">a</font>-((1-(trimethylsilyl)ethoxy)methyl)tryptophanate to produce N<font face="Symbol">a</font>-((adamantan-2-yloxy)carbonyl)-N<font face="Symbol">a</font>-((1-(trimethylsilyl)ethoxy)methyl)tryptophan, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1COCCO1", "O"], "agent": ["[Li+]", "Cl", "[OH-]"]} |
Using 3-(4-isopropylphenyl)-2-methylpropanal, 5-(4-bromophenyl)-3-methylisoxazol-4-amine to produce 5-(4-bromophenyl)-N-(3-(4-isopropylphenyl)-2-methylpropyl)-3-methylisoxazol-4-amine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["Cc1ccccc1"], "agent": ["[BH3-]C#N", "[Na+]"]} |
Using 4-chloro-5-((5-chloro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl)-N-((6-methoxypyridin-3-yl)methyl)thiazol-2-amine to produce 4-chloro-5-((5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl)-N-((6-methoxypyridin-3-yl)methyl)thiazol-2-amine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(=O)O", "CO"], "agent": ["[K+]", "[OH-]"]} |
Using (S)-3-((2-((tert-butoxycarbonyl)(phenethyl)amino)ethyl)amino)-4-(1H-indol-3-yl)butanoic acid to produce (S)-4-(1H-indol-3-yl)-3-((2-(phenethylamino)ethyl)amino)butanoic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOCC", "CO"], "agent": ["Cl"]} |
Using 1,4-dioxane-2,5-diol, 2-((6-chlorobenzo[d]thiazol-2-yl)amino)-1-(2-methoxyethyl)-N-(piperidin-4-ylmethyl)-1H-benzo[d]imidazole-5-carboxamide to produce 2-((6-chlorobenzo[d]thiazol-2-yl)amino)-N-((1-(2-hydroxyethyl)piperidin-4-yl)methyl)-1-(2-methoxyethyl)-1H-benzo[d]imidazole-5-carboxamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClCCl"], "agent": ["[Na+]", "Cl", "CC(=O)O[BH-](OC(C)=O)OC(C)=O"]} |
Using (4-((4-bromo-2-methylphenyl)amino)-2-chlorophenyl)(o-tolyl)methanone, iodoethane to produce (4-((4-bromo-2-methylphenyl)(ethyl)amino)-2-chlorophenyl)(o-tolyl)methanone, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "C1CCOC1"], "agent": ["[Na+]", "[H-]"]} |
Using chlorodicyclohexylphosphane, (2-bromo-3-methylbut-1-ene-1,1-diyl)dibenzene to produce dicyclohexyl(3-methyl-1,1-diphenylbut-1-en-2-yl)phosphane, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "C1CCOC1"], "agent": ["[Li]CCCC"]} |
Using benzyl (4-((2-(4-(azetidin-1-yl)piperidine-1-carboxamido)pyridin-4-yl)oxy)-2-fluorophenyl)carbamate to produce N-(4-(4-amino-3-fluorophenoxy)pyridin-2-yl)-4-(azetidin-1-yl)piperidine-1-carboxamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[C]", "[Pd]"]} |
Using 4-(5-(3,4-dimethoxybenzyl)-1H-1,2,4-triazol-1-yl)-2-methyl-6-((5-methylpyridin-2-yl)ethynyl)pyrimidine to produce 4-(5-(3,4-dimethoxybenzyl)-1H-1,2,4-triazol-1-yl)-2-methyl-6-(2-(5-methylpyridin-2-yl)ethyl)pyrimidine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO", "ClCCl"], "agent": ["[Pd]"]} |
Using 2-(3,3-dibromo-5-chloro-2-oxoindolin-1-yl)propanamide to produce 2-(5-chloro-2-oxoindolin-1-yl)propanamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(=O)O"], "agent": ["[Zn]"]} |
Using tert-butyl (4-methyl-3-(trimethylsilyl)phenyl)(trimethylsilyl)carbamate, 1-bromopyrrolidine-2,5-dione to produce tert-butyl (4-(bromomethyl)-3-(trimethylsilyl)phenyl)(trimethylsilyl)carbamate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClC(Cl)(Cl)Cl"], "agent": ["CC(C)(C#N)N=NC(C)(C)C#N"]} |
Using methyl 1-(4-chloro-2-(6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[indoline-3,3'-piperidin]-4'-yl)phenoxy)cyclobutane-1-carboxylate to produce 1-(4-chloro-2-(6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[indoline-3,3'-piperidin]-4'-yl)phenoxy)cyclobutane-1-carboxylic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CO"], "agent": ["[Na+]", "[OH-]"]} |
Using 4-fluoro-2-(trifluoromethyl)benzonitrile, 3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidine to produce 4-(3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOC(C)=O", "CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using 6-bromo-3-(4-((4,4-dimethylpiperidin-1-yl)methyl)phenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine, 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole to produce 3-(4-((4,4-dimethylpiperidin-1-yl)methyl)phenyl)-6-(1-methyl-1H-pyrazol-4-yl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOC(C)=O", "CC#N"], "agent": ["O=C([O-])[O-]", "[Na+]"]} |
Using 3-hydroxybenzoic acid, 1,2-dichloro-4-nitrobenzene to produce 3-(2-chloro-4-nitrophenoxy)benzoic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using (3-bromo-8-morpholinoimidazo[1,2-b]pyridazin-2-yl)methanol, 2-chloroquinoline to produce 4-(3-bromo-2-((quinolin-2-yloxy)methyl)imidazo[1,2-b]pyridazin-8-yl)morpholine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["[Na+]", "[H-]"]} |
Using 2-cyanonicotinate, 4-(chloromethyl)-2-methylthiazole to produce (2-methylthiazol-4-yl)methyl 2-cyanonicotinate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC#N"], "agent": ["[K+]", "C1COCCOCCOCCOCCOCCO1"]} |
Using benzyl 2-methoxy-1-oxo-3-thioxo-2,8-diazaspiro[4.5]decane-8-carboxylate to produce 2-methoxy-3-thioxo-2,8-diazaspiro[4.5]decan-1-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(=O)O", "CCOCC"], "agent": ["Br"]} |
Using ethyl 1H-pyrrole-3-carboxylate, 2-chloronicotinoyl chloride to produce ethyl 5-(2-chloronicotinoyl)-1H-pyrrole-3-carboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["c1ccccc1"], "agent": ["Cl[Sn](Cl)(Cl)Cl", "Cl"]} |
Using hexyl 2-(3,4-dihydroxy-5-nitrophenyl)-2-oxoacetate, hydrazinecarbothioamide to produce 6-(3,4-dihydroxy-5-nitrophenyl)-3-mercapto-1,2,4-triazin-5(4H)-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using 3-(4-(2-methoxyphenyl)piperazin-1-yl)propan-1-amine, 2-chloro-N,N-dimethylnicotinamide to produce 2-((3-(4-(2-methoxyphenyl)piperazin-1-yl)propyl)amino)-N,N-dimethylnicotinamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CCO"], "agent": ["O=C([O-])[O-]", "[K+]", "Cl"]} |
Using aceticanhydride, (1-(3-aminopropyl)-7-(5-methoxy-1-methyl-1H-indol-3-yl)-6H-imidazo[1,5-a]pyrrolo[2,3-e]pyrazin-6-yl)methanol to produce N-(3-(6-(hydroxymethyl)-7-(5-methoxy-1-methyl-1H-indol-3-yl)-6H-imidazo[1,5-a]pyrrolo[2,3-e]pyrazin-1-yl)propyl)acetamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["c1ccncc1", "C1CCOC1"], "agent": ["[Na+]", "O=C([O-])O"]} |
Using glycine, ethyl 7-hydroxy-2-(methyl(phenyl)amino)thiazolo[4,5-c]pyridine-6-carboxylate to produce (7-hydroxy-2-(methyl(phenyl)amino)thiazolo[4,5-c]pyridine-6-carbonyl)glycine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CO"], "agent": ["C[O-]", "[Na+]"]} |
Using 3-methyl-5-nitro-[1,1'-biphenyl]-4-amine to produce 5-methyl-[1,1'-biphenyl]-3,4-diamine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCCCCC", "CCOC(C)=O"], "agent": ["[C]", "[Pd]"]} |
Using tert-butyl 2-(2-hydroxyethyl)morpholine-4-carboxylate, perbromomethane to produce tert-butyl 2-(2-bromoethyl)morpholine-4-carboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClCCl"], "agent": ["c1c[nH]cn1"]} |
Using 4-(tert-butoxycarbonyl)morpholine-3-carboxylic acid to produce tert-butyl 3-(hydroxymethyl)morpholine-4-carboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "C1CCOC1"], "agent": ["O=C([O-])[O-]", "[Na+]", "B"]} |
Using methyl 7-bromohept-5-ynoate, 1,4,5-triphenyl-1,3-dihydro-2H-imidazol-2-one to produce methyl 7-(2-oxo-3,4,5-triphenyl-2,3-dihydro-1H-imidazol-1-yl)hept-5-ynoate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCC(C)=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using 3-((4-(ethoxycarbonyl)-3-methylcyclohexa-1,3-dien-1-yl)thio)propanoic acid to produce ethyl 5-methyl-4-oxo-3,4,7,8-tetrahydro-2H-thiochromene-6-carboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O=C(OC(=O)C(F)(F)F)C(F)(F)F", "Cc1ccccc1"], "agent": ["CS(=O)(=O)O"]} |
Using 2-chloroisophthalonitrile, methyl 2-mercaptoacetate to produce methyl 3-amino-7-cyanobenzo[b]thiophene-2-carboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CO"], "agent": ["O=C([O-])[O-]", "[Na+]"]} |
Using (4-((6-bromohexyl)oxy)butyl)benzene, 2-(2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl)ethan-1-ol to produce 2-(ethoxymethyl)-1-(2-((6-(4-phenylbutoxy)hexyl)oxy)ethyl)-1H-imidazo[4,5-c]quinoline, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["[Na+]", "[H-]"]} |
Using 1-(3-((1-(quinolin-2-yl)piperidin-4-yl)oxy)pyrazin-2-yl)piperidin-4-ol to produce 1-(3-((1-(quinolin-2-yl)piperidin-4-yl)oxy)pyrazin-2-yl)piperidin-4-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClCCl"], "agent": ["CC(=O)OI1(OC(C)=O)(OC(C)=O)OC(=O)c2ccccc21"]} |
Using N-(2,6-dichlorophenyl)-6-methoxy-1H-benzo[d]imidazol-2-amine to produce 2-((2,6-dichlorophenyl)amino)-1H-benzo[d]imidazol-6-ol, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(=O)O"], "agent": ["Br", "Cl"]} |
Using methyl 3-(4-(3-(4-(N-((benzyloxy)carbonyl)carbamimidoyl)phenoxy)propyl)-2,3-dioxopiperazin-1-yl)propanoate to produce methyl 3-(4-(3-(4-carbamimidoylphenoxy)propyl)-2,3-dioxopiperazin-1-yl)propanoate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["Cl", "[C]", "[Pd]"]} |
Using 4-methyl-6-(1-methylpiperidin-4-yl)-2-(2-oxo-4-((1-(2,3,5,6-tetrafluorophenyl)propan-2-yl)amino)-1,2-dihydropyridin-3-yl)imidazo[4,5-f]isoindole-5,7(1H,6H)-dione to produce 4-methyl-6-(1-methylpiperidin-4-yl)-2-(2-oxo-4-((1-(2,3,5,6-tetrafluorophenyl)propan-2-yl)amino)-1,2-dihydropyridin-3-yl)-6,7-dihydroimidazo[4,5-f]isoindol-5(1H)-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(=O)O"], "agent": ["[Zn]"]} |
Using N-methoxy-N,2-dimethylbenzamide, cyclopropylmagnesium bromide to produce cyclopropyl(o-tolyl)methanone, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOC(C)=O", "C1CCOC1"], "agent": ["Cl"]} |
Using naphthalen-1-ylboronic acid, tert-butyl 4-(2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)ethyl)piperazine-1-carboxylate to produce tert-butyl 4-(2-(1-hydroxycyclohexyl)-2-(4-(naphthalen-1-yloxy)phenyl)ethyl)piperazine-1-carboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClCCl", "CCN(CC)CC"], "agent": ["[Cu+2]", "CC(=O)[O-]"]} |
Using 1'-benzylspiro[indene-1,4'-piperidin]-3(2H)-one, hydroxylamine to produce 1'-benzylspiro[indene-1,4'-piperidin]-3(2H)-one oxime, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO"], "agent": ["CC(=O)[O-]", "[Na+]", "Cl"]} |
Using 2,4-dichloropyrimidine, ethyl 2-(1,6-dihydroxy-4-methyl-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetate to produce ethyl 2-(6-((2-chloropyrimidin-4-yl)oxy)-1-hydroxy-4-methyl-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[Cs+]"]} |
Using dimethyl 2,5-dimethyl-3-nitroterephthalate to produce 4-(methoxycarbonyl)-2,5-dimethyl-3-nitrobenzoic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1COCCO1", "O"], "agent": ["[Na+]", "[OH-]"]} |
Using but-3-en-1-ol, 2-chloropropanoic acid to produce but-3-en-1-yl 2-chloropropanoate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "COC(C)(C)C"], "agent": ["O=S(=O)(O)O", "O=C([O-])[O-]", "[Na+]"]} |
Using tert-butyl 4-(2-azidoethyl)piperidine-1-carboxylate to produce tert-butyl 4-(2-aminoethyl)piperidine-1-carboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "C1CCOC1"], "agent": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1"]} |
Using 2-(5-bromo-2-neopentyl-1H-benzo[d]imidazol-1-yl)-N,N-dimethylethan-1-amine, tert-butyl (R)-3-mercaptopyrrolidine-1-carboxylate to produce tert-butyl (R)-3-((1-(2-(dimethylamino)ethyl)-2-neopentyl-1H-benzo[d]imidazol-5-yl)thio)pyrrolidine-1-carboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1COCCO1", "CCN(C(C)C)C(C)C"], "agent": ["O=C(/C=C/c1ccccc1)/C=C/c1ccccc1", "CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21", "[Pd]"]} |
Using tert-butyl 3-(3-((2-(4-methylpiperazin-1-yl)-2-oxoethoxy)carbonyl)benzyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate to produce 2-(4-methylpiperazin-1-yl)-2-oxoethyl 3-((4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)methyl)benzoate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1COCCO1"], "agent": ["Cl"]} |
Using iodomethane, 1-(3-(1-phenyl-5-(trifluoromethyl)-1H-benzo[d]imidazol-7-yl)phenyl)ethan-1-ol to produce 7-(3-(1-methoxyethyl)phenyl)-1-phenyl-5-(trifluoromethyl)-1H-benzo[d]imidazole, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CN(C)C=O"], "agent": ["[H][H]", "[Na+]", "[H-]"]} |
Using 3-(3-methyl-1-(1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-4-yl)cyclohex-2-en-1-one to produce 3-(3-methyl-1-(1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-4-yl)cyclohexan-1-ol, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CO"], "agent": ["[Na+]", "[Pd]", "[BH4-]"]} |
Using 5-(4-bromophenyl)-3-methylisoxazole-4-carbaldehyde, triphenyl(3-phenylpropyl)phosphonium to produce 5-(4-bromophenyl)-3-methyl-4-(4-phenylbut-1-en-1-yl)isoxazole, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Br-]", "[Li]CCCC", "Cl"]} |
Using (1S,4R)-4-(2,6-dichloro-9H-purin-9-yl)cyclopent-2-en-1-yl ethyl carbonate, 4-ethyl-2H-1,2,3-triazole to produce 2,6-dichloro-9-((1R,4S)-4-(4-ethyl-1H-1,2,3-triazol-1-yl)cyclopent-2-en-1-yl)-9H-purine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1", "O=C(/C=C/c1ccccc1)/C=C/c1ccccc1", "[Pd]"]} |
Using bis(trimethylsilyl)amide, 6-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)-[1,1'-biphenyl]-3-carbonitrile to produce 6-(5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)-[1,1'-biphenyl]-3-carbonitrile, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CI", "C1CCOC1"], "agent": ["[Li+]"]} |
Using methanethiolate, 7-(6-fluoro-4-methylpyridin-3-yl)isoquinolin-3-amine to produce 7-(4-methyl-6-(methylthio)pyridin-3-yl)isoquinolin-3-amine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(=O)N(C)C"], "agent": ["[Na+]"]} |
Using 5-(benzyloxy)-2-(4-(4-(4-chloro-1H-pyrazol-1-yl)butyl)piperazin-1-yl)pyrimidine to produce 2-(4-(4-(4-chloro-1H-pyrazol-1-yl)butyl)piperazin-1-yl)pyrimidin-5-ol, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO"], "agent": ["[Pd]"]} |
Using 5-(4-(((6-bromopyridin-3-yl)oxy)methyl)piperidin-1-yl)-3-isopropyl-1,2,4-oxadiazole, (4-(methylsulfonyl)phenyl)boronic acid to produce 3-isopropyl-5-(4-(((6-(4-(methylsulfonyl)phenyl)pyridin-3-yl)oxy)methyl)piperidin-1-yl)-1,2,4-oxadiazole, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["COCCOC"], "agent": ["O=C([O-])[O-]", "[Na+]", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using (1S,3R)-3-(6-tosyl-6H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrazin-1-yl)cyclopentan-1-amine, 3-chloropropane-1-sulfonyl chloride to produce 3-chloro-N-((1S,3R)-3-(6-tosyl-6H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrazin-1-yl)cyclopentyl)propane-1-sulfonamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClCCl"], "agent": ["O=C(O)CC(O)(CC(=O)O)C(=O)O", "Cl"]} |
Using phenyl benzo[c]acridine-7-carboxylate to produce phenyl 7,12-dihydrobenzo[c]acridine-7-carboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOC(C)=O", "CCO"], "agent": ["[NH4+]", "[Cl-]", "[Zn]"]} |
Using methyl (E)-4-(((4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)oxy)imino)-4-phenylbutanoate to produce (E)-4-(((4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)oxy)imino)-4-phenylbutanoic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1", "CO"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using (2R,3S,4S,5R,6S)-4,5-bis(benzyloxy)-2-((benzyloxy)methyl)-6-(((2R,3R,4S,5R,6S)-3,4,5-tris(benzyloxy)-6-methoxytetrahydro-2H-pyran-2-yl)methoxy)tetrahydro-2H-pyran-3-yl acetate to produce (2R,3S,4S,5R,6S)-4,5-bis(benzyloxy)-2-((benzyloxy)methyl)-6-(((2R,3R,4S,5R,6S)-3,4,5-tris(benzyloxy)-6-methoxytetrahydro-2H-pyran-2-yl)methoxy)tetrahydro-2H-pyran-3-ol, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["Cc1ccccc1", "CO"], "agent": ["C[O-]", "[Na+]"]} |
Using ethyl 2-(6-chloro-3-(((3S,4R)-1-(methylsulfonyl)-4-(pyridin-2-yl)pyrrolidin-3-yl)amino)-2-oxopyrazin-1(2H)-yl)acetate to produce 2-(6-chloro-3-(((3S,4R)-1-(methylsulfonyl)-4-(pyridin-2-yl)pyrrolidin-3-yl)amino)-2-oxopyrazin-1(2H)-yl)acetic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using 2-mercaptoethan-1-ol, 4,4'-((2-bromoethoxy)methylene)bis(chlorobenzene) to produce 2-((2-(bis(4-chlorophenyl)methoxy)ethyl)thio)ethan-1-ol, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O", "Cc1ccccc1"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using 6,8-dichloro-2,7-naphthyridin-1(2H)-one, iodomethane to produce 6,8-dichloro-2-methyl-2,7-naphthyridin-1(2H)-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["[Na+]", "[H-]"]} |
Using 2,2-difluoropropanoic acid, (1R,2S)-1-(2,3-dihydrobenzofuran-6-yl)-1-((1-(4-fluorophenyl)-1H-indazol-5-yl)oxy)propan-2-amine to produce N-((1R,2S)-1-(2,3-dihydrobenzofuran-6-yl)-1-((1-(4-fluorophenyl)-1H-indazol-5-yl)oxy)propan-2-yl)-2,2-difluoropropanamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN1CCCC1=O", "CCN(C(C)C)C(C)C"], "agent": ["F[P-](F)(F)(F)(F)F", "CN(C)C(On1nnc2cccnc21)=[N+](C)C", "Cl"]} |
Using 3-((3-benzyl-8-(trifluoromethyl)quinolin-4-yl)methyl)phenol, methyl 3-(bromomethyl)benzoate to produce methyl 3-((3-((3-benzyl-8-(trifluoromethyl)quinolin-4-yl)methyl)phenoxy)methyl)benzoate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC#N"], "agent": ["O=C([O-])[O-]", "[Cs+]"]} |
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