problem
stringlengths 306
1.39k
| answer
stringlengths 34
253
|
|---|---|
Using N-(1-(6-bromopyridin-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl)-4-(2-oxo-1,4-dihydroquinazolin-3(2H)-yl)piperidine-1-carboxamide, phenylboronic acid to produce N-(2-(7-methyl-1H-indazol-5-yl)-1-(6-phenylpyridin-2-yl)ethyl)-4-(2-oxo-1,4-dihydroquinazolin-3(2H)-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": ["CCO", "Cc1ccccc1"], "agent": ["O=C([O-])[O-]", "[K+]", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using thionylchloride, (dibenzo[b,d]thiophen-2-ylsulfonyl)-L-arginine to produce (dibenzo[b,d]thiophen-2-ylsulfonyl)-L-argininoyl chloride, 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": ["N#N"]} |
Using iodomethane, 5,6-bis(4-fluorophenyl)-1,2,4-triazine-3-thiol to produce 5,6-bis(4-fluorophenyl)-3-(methylthio)-1,2,4-triazine, 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+]", "[OH-]"]} |
Using N-(2-bromophenyl)-3-nitro-6-phenylquinolin-4-amine to produce N4-(2-bromophenyl)-6-phenylquinoline-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": ["C1CCOC1", "CO"], "agent": ["[Ni]"]} |
Using methyl (Z)-2-(2-chloro-4-((E)-1-hydroxy-3-(3-hydroxyphenyl)allyl)benzamido)-3-(quinolin-3-yl)acrylate to produce (Z)-2-(2-chloro-4-((E)-1-hydroxy-3-(3-hydroxyphenyl)allyl)benzamido)-3-(quinolin-3-yl)acrylic 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"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using methyl 5-hydroxypyrazine-2-carboxylate, 2-chloro-2,2-difluoroacetate to produce methyl 5-(difluoromethoxy)pyrazine-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": ["CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[Na+]", "[K+]"]} |
Using 2,3-difluoro-6-nitro-N-phenylaniline to produce 5,6-difluoro-N1-phenylbenzene-1,2-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": ["O", "CO"], "agent": ["[Cl-]", "[Fe]", "[NH4+]"]} |
Using 3-((2-methoxyphenyl)amino)-3-oxopropanoic acid, 3-fluoro-4-((2-(1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yl)oxy)aniline to produce N1-(3-fluoro-4-((2-(1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yl)oxy)phenyl)-N3-(2-methoxyphenyl)malonamide, 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", "ClCCCl"], "agent": ["On1nnc2ccccc21"]} |
Using dimethylsulfate, 9-chloro-7-(2-chlorophenyl)-5H-benzo[c]pyrimido[4,5-e]azepine-2-thiol to produce 9-chloro-7-(2-chlorophenyl)-2-(methylthio)-5H-benzo[c]pyrimido[4,5-e]azepine, 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+]", "[OH-]"]} |
Using (6-chloroimidazo[1,2-b]pyridazin-3-yl)(1-methyl-1H-benzo[d]imidazol-6-yl)methanol to produce (6-chloroimidazo[1,2-b]pyridazin-3-yl)(1-methyl-1H-benzo[d]imidazol-6-yl)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": ["ClCCl"], "agent": ["CC(=O)OI1(OC(C)=O)(OC(C)=O)OC(=O)c2ccccc21"]} |
Using 3-((E)-2-((1r,1's,4R,4'R)-4'-butyl-[1,1'-bi(cyclohexan)]-4-yl)vinyl)-7-ethoxy-1,2,8-trifluoronaphthalene to produce 3-(2-((1r,1's,4R,4'R)-4'-butyl-[1,1'-bi(cyclohexan)]-4-yl)phenyl)-7-ethoxy-1,2,8-trifluoronaphthalene, 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": ["[H][H]", "[C]", "[Pd]"]} |
Using (E)-2-(2,4-difluorostyryl)-5-(phenylsulfonyl)pyridine to produce 2-(2,4-difluorophenethyl)-5-(phenylsulfonyl)pyridine, 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(=O)O"], "agent": ["[H][H]", "[OH-]", "[Pd+2]"]} |
Using N-(4-((1,4-dioxa-8-azaspiro[4.5]decan-8-yl)sulfonyl)benzyl)-4-chlorobenzamide to produce 4-chloro-N-(4-((4-oxopiperidin-1-yl)sulfonyl)benzyl)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": ["C1CCOC1"], "agent": ["Cl"]} |
Using 3,8-dibromo-6-chloroimidazo[1,2-b]pyridazine, 4-amino-N-methylbenzenesulfonamide to produce 4-((3-bromo-6-chloroimidazo[1,2-b]pyridazin-8-yl)amino)-N-methylbenzenesulfonamide, 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": ["CC(C)(C)[O-]", "[K+]"]} |
Using methyl 4-phenylnicotinate to produce 4-phenylnicotinic 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": ["CCOC(C)=O", "CO"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using 2-(2,6-difluorophenyl)-5-(6-(piperazin-1-yl)pyridin-3-yl)oxazole-4-carboxamide, isocyanatomethane to produce 2-(2,6-difluorophenyl)-5-(6-(4-(methylcarbamoyl)piperazin-1-yl)pyridin-3-yl)oxazole-4-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", "CCN(CC)CC"], "agent": ["Cl"]} |
Using 4-methoxybenzenesulfinic acid, naphthalen-1-ylboronic acid to produce 4-(naphthalen-1-ylsulfonyl)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": ["CCN(CC)CC", "CS(C)=O"], "agent": ["Cl"]} |
Using 6-hydroxy-1H-isochromen-1-one, (S)-2-ethyloxirane to produce (S)-6-(2-hydroxybutoxy)-1H-isochromen-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": ["O", "CN(C)C=O"], "agent": ["[F-]", "[Cs+]"]} |
Using 1-isocyanatoadamantane, 3-((4-(methylthio)phenyl)(2-(trifluoromethyl)phenyl)methoxy)azetidine to produce N-(adamantan-1-yl)-3-((4-(methylthio)phenyl)(2-(trifluoromethyl)phenyl)methoxy)azetidine-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": ["ClCCl"], "agent": ["O=C([O-])[O-]", "Cl"]} |
Using 4-(3-((tert-butoxycarbonyl)(tert-butyl)amino)propoxy)-3-(hydroxymethyl)benzofuran-2-carboxylic acid, carbonate to produce methyl 4-(3-((tert-butoxycarbonyl)(tert-butyl)amino)propoxy)-3-(hydroxymethyl)benzofuran-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": ["CN(C)C=O", "CI"], "agent": ["[K+]", "Cl"]} |
Using 2-hydroxyisoindoline-1,3-dione, cyclopent-3-en-1-ol to produce 2-(cyclopent-3-en-1-yloxy)isoindoline-1,3-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": ["C1CCOC1"], "agent": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1", "CCOC(=O)N=NC(=O)OCC"]} |
Using 5-(4-phenethoxybenzylidene)thiazolidine-2,4-dione, 2-chloroacetonitrile to produce 2-(2,4-dioxo-5-(4-phenethoxybenzylidene)thiazolidin-3-yl)acetonitrile, 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 N-(6-(4-(benzyloxy)phenyl)-5-(furan-3-yl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-indazol-3-yl)butyramide to produce N-(6-(4-(benzyloxy)phenyl)-5-(furan-3-yl)-1H-indazol-3-yl)butyramide, 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": ["[F-]", "CCCC[N+](CCCC)(CCCC)CCCC"]} |
Using 2-(9H-fluoren-2-yl)acetonitrile, iodomethane to produce 2-(9H-fluoren-2-yl)propanenitrile, 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]", "[Na+]", "[H-]"]} |
Using 4-bromo-2-nitroaniline, diiodine to produce 4-bromo-2-iodo-6-nitroaniline, 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": ["[Ag+]", "O=S(=O)([O-])[O-]"]} |
Using 3,4-dihydro-2H-pyran, 4-((3-cyclopropyl-1H-pyrazol-4-yl)oxy)-2,6-dimethylbenzonitrile to produce 4-((3-cyclopropyl-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl)oxy)-2,6-dimethylbenzonitrile, 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": ["Cc1ccc(S(=O)(=O)O)cc1"]} |
Using ethanol, 7,10-dimethyl-7-((5-methyl-1-trityl-1H-imidazol-4-yl)methyl)-8,9-dihydropyrido[1,2-a]indol-6(7H)-one to produce 2-methyl-2-((5-methyl-1-trityl-1H-imidazol-4-yl)methyl)-4-(3-methyl-1H-indol-2-yl)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": ["C1COCCO1"], "agent": ["[Na+]", "[OH-]"]} |
Using 4-(2-hydroxy-4-phenyl-1-(1H-1,2,4-triazol-1-yl)butyl)benzonitrile to produce 4-(4-phenyl-1-(1H-1,2,4-triazol-1-yl)but-1-en-1-yl)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": ["CC#N"], "agent": ["ClP(Cl)(Cl)(Cl)Cl"]} |
Using 5-chloro-2-phenyl-[1,2,4]triazolo[4,3-c]quinazoline-3(2H)-thione to produce 2-phenyl-5,6-dihydro-[1,2,4]triazolo[4,3-c]quinazoline-3(2H)-thione, 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 6-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propanoyl)benzo[d]thiazol-2(3H)-one to produce 6-(1-hydroxy-2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propyl)benzo[d]thiazol-2(3H)-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+]", "Cl", "[BH4-]"]} |
Using methanolate, 2,2-difluoroethyl 2-chloro-6-(2,2-difluoroethoxy)nicotinate to produce methyl 6-(2,2-difluoroethoxy)-2-methoxynicotinate, 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+]"]} |
Using phenyl diphenylphosphinate to produce diphenylphosphinate, 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[Si](C)(C)[O-]", "[K+]"]} |
Using 1-chloro-4-(chloromethyl)benzene, N-(2-(1H-indol-3-yl)ethyl)benzo[d][1,3]dithiol-2-imine to produce N-(2-(1-(4-chlorobenzyl)-1H-indol-3-yl)ethyl)benzo[d][1,3]dithiol-2-imine, 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", "COCCOC"], "agent": ["[Na+]", "[H-]"]} |
Using 1-bromo-2-fluoro-4-(trifluoromethyl)benzene, 1H-imidazole to produce 1-(2-bromo-5-(trifluoromethyl)phenyl)-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": ["CN(C)C=O", "ClCCl"], "agent": ["CC(C)(C)[O-]", "[K+]"]} |
Using methyl 2-(4-(3,4-dimethylphenyl)-6-methyl-2-phenylpyrimidin-5-yl)pentanoate to produce 2-(4-(3,4-dimethylphenyl)-6-methyl-2-phenylpyrimidin-5-yl)pentanoic 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": ["CO"], "agent": ["[Na+]", "[OH-]"]} |
Using (2R,3S)-2-(2-(benzyloxy)ethyl)-3-(dibenzylamino)-7-fluoro-2,3-dihydrobenzo[b][1,4]oxazepin-4(5H)-one to produce (2R,3S)-3-amino-7-fluoro-2-(2-hydroxyethyl)-2,3-dihydrobenzo[b][1,4]oxazepin-4(5H)-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": ["[Pd]"]} |
Using 5-(((1H-indol-4-yl)oxy)methyl)-4-methyl-2-(4-(trifluoromethyl)phenyl)thiazole, tert-butyl 2-bromoacetate to produce tert-butyl 2-(4-((4-methyl-2-(4-(trifluoromethyl)phenyl)thiazol-5-yl)methoxy)-1H-indol-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 3-(2-butyl-4-chloro-1-(4-nitrobenzyl)-1H-imidazol-5-yl)prop-1-en-1-ol to produce 3-(1-(4-aminobenzyl)-2-butyl-4-chloro-1H-imidazol-5-yl)prop-1-en-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", "CCO"], "agent": ["[Fe]"]} |
Using methyl 3-(4-(2-(10H-phenothiazin-10-yl)ethoxy)phenyl)-2-ethoxypropanoate to produce 3-(4-(2-(10H-phenothiazin-10-yl)ethoxy)phenyl)-2-ethoxypropanoic 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": ["CO"], "agent": ["[Na+]", "[OH-]"]} |
Using cyanide, 4-(chloromethyl)-2-(4-chlorophenyl)thiazole to produce 2-(2-(4-chlorophenyl)thiazol-4-yl)acetonitrile, 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 n,n-dimethylformamide, 2-(4-(tert-butyl)phenyl)-4,4-dimethyl-4,5-dihydrooxazole to produce 5-(tert-butyl)-2-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzaldehyde, 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", "C1CCOC1"], "agent": ["[Li]CCCC"]} |
Using 5-methoxy-1H-indole, piperidin-4-one to produce 5-methoxy-3-(piperidin-4-yl)-1H-indole, 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": ["Cl"]} |
Using N-(2-(1-benzyl-1,2,3,6-tetrahydropyridin-4-yl)-4-chlorophenyl)-2-chloroisonicotinamide, 1-chloroethyl carbonochloridate to produce 1-chloroethyl 4-(5-chloro-2-(2-chloroisonicotinamido)phenyl)-3,6-dihydropyridine-1(2H)-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": ["Cc1ccccc1"], "agent": ["[Na+]", "O=C([O-])O"]} |
Using nitrate, N-(4-(benzyloxy)-3-fluorophenyl)pyrazine-2-carboxamide to produce N-(4-(benzyloxy)-5-fluoro-2-nitrophenyl)pyrazine-2-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": ["O=C(O)C(F)(F)F", "ClC(Cl)Cl"], "agent": ["[K+]"]} |
Using 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, 5-(11-fluoro-6H-pyrido[2',3':5,6][1,3]oxazino[3,4-a]indol-2-yl)-2-(4-fluorophenyl)-6-iodo-N-methylbenzofuran-3-carboxamide to produce 5-(11-fluoro-6H-pyrido[2',3':5,6][1,3]oxazino[3,4-a]indol-2-yl)-2-(4-fluorophenyl)-N-methyl-6-(1-methyl-1H-pyrazol-5-yl)benzofuran-3-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": ["CN(C)C=O"], "agent": ["c1ccc(P(c2ccccc2)[c-]2cccc2)cc1", "Cl[Pd]Cl", "[Fe+2]"]} |
Using trimethyl borate, (2-bromo-6-(trifluoromethyl)phenyl)methanol to produce 4-(trifluoromethyl)benzo[c][1,2]oxaborol-1(3H)-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": ["CCCCCC", "C1CCOC1"], "agent": ["[Li]CCCC"]} |
Using 6-((2,5-dichloropyrimidin-4-yl)(methyl)amino)hexahydrofuro[3,2-b]furan-3-ol, 1-methyl-1H-pyrazol-4-amine to produce 6-((5-chloro-2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)(methyl)amino)hexahydrofuro[3,2-b]furan-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": ["CCCCO", "CCN(C(C)C)C(C)C"], "agent": ["Cl"]} |
Using 5-((2-fluoro-4-iodophenyl)amino)-1-(3-(3-hydroxypyrrolidine-1-carbonyl)phenyl)-3-(4-methoxybenzyl)-6,8-dimethylpyrido[4,3-d]pyrimidine-2,4,7(1H,3H,6H)-trione to produce 5-((2-fluoro-4-iodophenyl)amino)-1-(3-(3-hydroxypyrrolidine-1-carbonyl)phenyl)-6,8-dimethylpyrido[4,3-d]pyrimidine-2,4,7(1H,3H,6H)-trione, 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": ["COc1ccccc1"], "agent": ["[Al+3]", "[Cl-]"]} |
Using 2-((1-(phenylsulfonyl)-1H-indol-5-yl)oxy)ethan-1-amine, acetylchloride to produce N-(2-((1-(phenylsulfonyl)-1H-indol-5-yl)oxy)ethyl)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", "CCN(CC)CC"], "agent": ["CN(C)c1ccncc1"]} |
Using 2-methylbut-3-yn-2-ol, 9-iodo-3-methyl-3,4,5,6-tetrahydro-4,6-methanobenzo[3,4]cyclohepta[1,2-d]imidazole-2-carboxamide to produce 9-(3-hydroxy-3-methylbut-1-yn-1-yl)-3-methyl-3,4,5,6-tetrahydro-4,6-methanobenzo[3,4]cyclohepta[1,2-d]imidazole-2-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": ["C1CCNCC1"], "agent": ["[Cu]I", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using phenylhydrazine, 4,4,4-trifluoro-1-(4-(methylthio)phenyl)butane-1,3-dione to produce 5-(4-(methylthio)phenyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazole, 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": ["Cl"]} |
Using 1-acetyl-3-(ethoxy(phenyl)methylene)indolin-2-one, 1-(4-aminophenyl)ethan-1-one to produce (Z)-3-(((4-acetylphenyl)amino)(phenyl)methylene)indolin-2-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", "CO"], "agent": ["[Na+]", "[OH-]"]} |
Using pyrocatechol to produce benzene-1,2-bis(olate), 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": ["CC(C)[O-]", "[Ti+4]"]} |
Using 2,2,2-trichloroethyl (3-(2-cyano-5,6-dihydro-11H-benzo[d]pyrrolo[1,2-a]azepin-11-ylidene)propyl)(methyl)carbamate to produce 11-(3-(methylamino)propylidene)-6,11-dihydro-5H-benzo[d]pyrrolo[1,2-a]azepine-2-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": ["CC(=O)O"], "agent": ["[Zn]"]} |
Using 4-bromo-2-(hydroxy(pyridin-2-yl)methyl)phenol, 3-chlorobenzoperoxoic acid to produce 2-((5-bromo-2-hydroxyphenyl)(hydroxy)methyl)pyridine 1-oxide, 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": ["[Na+]", "O=S([O-])[O-]"]} |
Using 1,4-dioxa-8-azaspiro[4.5]decane, 2-(4-benzoylphenyl)propyl 4-methylbenzenesulfonate to produce (4-(1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-2-yl)phenyl)(phenyl)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": ["CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using tert-butyl 4-(furan-3-yl)benzoate to produce tert-butyl 4-(tetrahydrofuran-3-yl)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": ["CO"], "agent": ["[Pd]"]} |
Using 4-fluorobenzenethiol, cyclopropylmethyl N-phenyl-3-(trimethylsilyl)prop-2-ynimidothioate to produce cyclopropylmethyl 3-((4-fluorophenyl)thio)-N-phenylprop-2-enimidothioate, 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-]", "[K+]"]} |
Using N-(4-methoxyphenyl)-2-(thiophene-2-carbonyl)hydrazine-1-carbothioamide to produce 4-(4-methoxyphenyl)-5-(thiophen-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 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+]", "CC[O-]"]} |
Using aceticacid, 2,6-dimethylpyridin-4(1H)-one to produce 2,6-dimethyl-4-oxo-1,4-dihydropyridine-3-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": ["ClC(Cl)Cl"], "agent": ["[Na+]", "[OH-]"]} |
Using 3,3-dimethyl-2-butanone, pivalaldehyde to produce 5-hydroxy-2,2,6,6-tetramethylheptan-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": ["CCCCCC", "C1CCOC1"], "agent": ["CC(C)[N-]C(C)C", "[Li+]"]} |
Using 3-bromo-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one to produce 3-bromo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline, 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": ["[Zn]", "Cl"]} |
Using methyl 3-acetamido-4'-(2-(benzyl((2R)-2-phenyl-2-((tetrahydro-2H-pyran-2-yl)oxy)ethyl)amino)ethyl)-[1,1'-biphenyl]-4-carboxylate to produce methyl (R)-3-acetamido-4'-(2-(benzyl(2-hydroxy-2-phenylethyl)amino)ethyl)-[1,1'-biphenyl]-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": ["CCOC(C)=O"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using 4-(4-(tert-butyl)phenyl)-2-((1-methylcyclopentyl)methyl)-2,3-dihydro-1H-inden-1-one to produce 7-(4-(tert-butyl)phenyl)-2-((1-methylcyclopentyl)methyl)-1H-indene, 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": ["O=S(=O)(O)O", "[Na+]", "[BH4-]"]} |
Using 2-chloropyridine, 2-(4-((3-methylbut-2-en-1-yl)oxy)phenoxy)ethan-1-ol to produce 2-(2-(4-((3-methylbut-2-en-1-yl)oxy)phenoxy)ethoxy)pyridine, 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)P(=O)(N(C)C)N(C)C", "C1CCOC1"], "agent": ["[Na+]", "[H-]"]} |
Using 5-bromo-6-(hydroxy(pyridin-3-yl)methyl)-1-isobutyl-3-methylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione to produce 5-bromo-1-isobutyl-3-methyl-6-nicotinoylthieno[2,3-d]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": ["ClCCl"], "agent": ["O=[Ru](=O)(=O)[O-]", "CCC[N+](CCC)(CCC)CCC", "C[N+]1([O-])CCOCC1"]} |
Using 5-amino-4-fluoro-2-methylphenol, 4-chloro-6-methoxy-7-(pyridin-4-ylmethoxy)quinazoline to produce 4-fluoro-5-((6-methoxy-7-(pyridin-4-ylmethoxy)quinazolin-4-yl)amino)-2-methylphenol, 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"], "agent": ["Cl"]} |
Using ethyl 1-(2'-fluoro-6'-methoxy-[1,1'-biphenyl]-3-yl)-1H-imidazole-4-carboxylate to produce 1-(2'-fluoro-6'-methoxy-[1,1'-biphenyl]-3-yl)-1H-imidazole-4-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": ["CCO"], "agent": ["[K+]", "[OH-]"]} |
Using methyl oleate, (1R,2R)-cyclohexane-1,2-diamine to produce N-((1R,2R)-2-aminocyclohexyl)oleamide, 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": ["C[O-]", "[Na+]"]} |
Using 2-(trifluoromethyl)phenol, tert-butanol to produce 4-(tert-butyl)-2-(trifluoromethyl)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", "O=C(O)C(F)(F)F"], "agent": ["O=S(=O)(O)O"]} |
Using 1-iodopropane, 4-((7-nitro-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)methyl)benzonitrile to produce 4-((7-nitro-2,4-dioxo-1-propyl-1,4-dihydroquinazolin-3(2H)-yl)methyl)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": ["CS(C)=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using 2-chloroethan-1-amine, 1-(4-nitrophenyl)-2-propoxyethan-1-one oxime to produce 1-(4-nitrophenyl)-2-propoxyethan-1-one O-(2-aminoethyl) 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": ["CN(C)C=O"], "agent": ["[K+]", "Cl", "[OH-]"]} |
Using methyl 22-(1,3-dioxoisoindolin-2-yl)docosanoate to produce 22-aminodocosanoic 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", "CCO"], "agent": ["NN", "Cl"]} |
Using 4-hydroxybenzaldehyde, 1-(piperidin-1-yl)ethan-1-ol to produce 4-(2-(piperidin-1-yl)ethoxy)benzaldehyde, 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": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1", "OO", "CCOC(=O)/N=N/C(=O)OCC"]} |
Using 2-((2-((4-methoxy-2,6-dimethylphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinolin-3-yl)methoxy)acetate to produce (S)-2-((2-((4-methoxy-2,6-dimethylphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinolin-3-yl)methoxy)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": ["O", "C1CCOC1"], "agent": ["[Na+]", "[OH-]"]} |
Using methanolate, N-(6-chloropyridazin-3-yl)-5-(dimethylamino)naphthalene-1-sulfonamide to produce 5-(dimethylamino)-N-(6-methoxypyridazin-3-yl)naphthalene-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": ["CN1CCCC1=O", "CO"], "agent": ["[Na+]"]} |
Using ethyl (E)-4-(2-(5-ethylpyridin-2-yl)-4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-1-yl)but-2-enoate to produce (E)-4-(2-(5-ethylpyridin-2-yl)-4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-1-yl)but-2-enoic 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", "C1CCOC1"], "agent": ["[Na+]", "[OH-]"]} |
Using 2,5-dimethoxytetrahydrofuran, 2-amino-1-(5-fluoro-2-(methylthio)phenyl)ethan-1-one to produce 1-(5-fluoro-2-(methylthio)phenyl)-2-(1H-pyrrol-1-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": ["O", "CC(=O)O"], "agent": ["Cl"]} |
Using N-(6-hydroxypyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-9-yl)-4-methylbenzenesulfonamide to produce 4-methyl-N-(pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-9-yl)benzenesulfonamide, 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": ["CS(=O)(=O)Cl"]} |
Using 3-bromo-4-fluorobenzoyl fluoride to produce (3-bromo-4-fluorophenyl)methanol, 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"], "agent": ["[Na+]", "Cl", "[BH4-]"]} |
Using 3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(pyrrolidin-1-yl)ethoxy)aniline, 4-(trifluoromethyl)benzoic acid to produce N-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-4-(trifluoromethyl)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", "CCN(CC)CC"], "agent": ["F[P-](F)(F)(F)(F)F", "CN(C)C(On1nnc2cccnc21)=[N+](C)C"]} |
Using morpholine, 1-cyclopropyl-6-fluoro-2-((1S)-1-((9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl)amino)ethyl)-1H-benzo[d]imidazole-7-carboxylic acid to produce (S)-(2-(1-((9H-purin-6-yl)amino)ethyl)-1-cyclopropyl-6-fluoro-1H-benzo[d]imidazol-7-yl)(morpholino)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": ["ClCCl", "CCN(C(C)C)C(C)C"], "agent": ["F[P-](F)(F)(F)(F)F", "CN(C)C(On1nnc2cccnc21)=[N+](C)C"]} |
Using methyl 3-((3-bromophenyl)sulfonamido)thiophene-2-carboxylate, phenylboronic acid to produce methyl 3-([1,1'-biphenyl]-3-sulfonamido)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": ["CCO", "Cc1ccccc1"], "agent": ["[Na+]", "O=C([O-])O", "Cl[Pd](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1"]} |
Using 1-(3,5-dimethoxy-4-(1H-pyrrol-1-yl)phenyl)-2-(methylsulfonyl)ethan-1-one to produce 1-(3,5-dimethoxy-4-(1H-pyrrol-1-yl)phenyl)-2-(methylsulfonyl)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": ["O", "CCO"], "agent": ["[Na+]", "[OH-]", "[BH4-]"]} |
Using iodomethane, 5-(benzyloxy)-3-(3-chlorophenyl)-2-methyl-1H-indole to produce 5-(benzyloxy)-3-(3-chlorophenyl)-1,2-dimethyl-1H-indole, 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 tert-butyl (2-(4-(2,5-dichlorobenzoyl)piperazin-1-yl)-2-oxoethyl)carbamate to produce 2-amino-1-(4-(2,5-dichlorobenzoyl)piperazin-1-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": ["C1COCCO1"], "agent": ["Cl"]} |
Using 4-((2'S,3R,4'S,5'R)-1,1'-diacetyl-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-neopentyl-2-oxospiro[indoline-3,3'-pyrrolidine]-5'-carboxamido)cyclohexyl acetate to produce (2'S,3R,4'S,5'R)-1'-acetyl-6-chloro-4'-(3-chloro-2-fluorophenyl)-N-((1r,4R)-4-hydroxycyclohexyl)-2'-neopentyl-2-oxospiro[indoline-3,3'-pyrrolidine]-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": ["CO"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using 4-hydroxy-3-methoxybenzonitrile, (R)-N-(3-(1-(3-hydroxy-3-phenylpropyl)piperidin-4-yl)phenyl)isobutyramide to produce (S)-N-(3-(1-(3-(4-cyano-2-methoxyphenoxy)-3-phenylpropyl)piperidin-4-yl)phenyl)isobutyramide, 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", "ClC(Cl)Cl"], "agent": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1", "CCOC(=O)N=NC(=O)OCC", "N"]} |
Using tert-butyl (4-((3-(4-fluorobenzyl)-4-methoxyphenyl)(hydroxy)methyl)-3,5-dimethylphenyl)carbamate to produce tert-butyl (4-(3-(4-fluorobenzyl)-4-methoxybenzyl)-3,5-dimethylphenyl)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": ["CC(=O)O", "CO"], "agent": ["[H][H]", "[C]", "[Pd]"]} |
Using 2-methyl-2-propanamine, 4-bromo-1-fluoro-2-nitrobenzene to produce 4-bromo-N-(tert-butyl)-2-nitroaniline, 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": ["[Na+]", "[H-]"]} |
Using (S)-1-((tert-butyldimethylsilyl)oxy)-4-((6-chloropyridin-3-yl)methyl)-2,3-dihydro-1H-indene-5-carbonitrile to produce (S)-4-((6-chloropyridin-3-yl)methyl)-1-hydroxy-2,3-dihydro-1H-indene-5-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": ["C1CCOC1"], "agent": ["[F-]", "CCCC[N+](CCCC)(CCCC)CCCC"]} |
Using ethyl 3-(2-bromo-5-nitropyridin-4-yl)-2-oxopropanoate to produce ethyl 5-bromo-1H-pyrrolo[2,3-c]pyridine-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": ["CCO", "C1CCOC1"], "agent": ["[Fe]", "[Cl-]", "[NH4+]"]} |
Using trimethyl borate, 3-bromo-1-fluoronaphthalene to produce (4-fluoronaphthalen-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": ["C1CCOC1"], "agent": ["[Li]CCCC"]} |
Using benzyl (3-hydroxy-2,2-dimethylcyclopentyl)carbamate to produce benzyl (2,2-dimethyl-3-oxocyclopentyl)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": ["ClCCl"], "agent": ["CC(=O)OI1(OC(C)=O)(OC(C)=O)OC(=O)c2ccccc21"]} |
Using (bromomethyl)benzene, methyl 2,6-dimethoxy-3-((4-methoxyphenyl)sulfonamido)isonicotinate to produce methyl 3-((N-benzyl-4-methoxyphenyl)sulfonamido)-2,6-dimethoxyisonicotinate, 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", "O"], "agent": ["[Na+]", "[H-]"]} |
Using 3-(3-methylbenzofuran-2-yl)azetidine, (E)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylic acid to produce (E)-6-(3-(3-(3-methylbenzofuran-2-yl)azetidin-1-yl)-3-oxoprop-1-en-1-yl)-3,4-dihydro-1,8-naphthyridin-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": ["CN(C)C=O", "CCN(C(C)C)C(C)C"], "agent": ["CCN=C=NCCCN(C)C", "On1nnc2cccnc21", "Cl"]} |
Using iodomethane, 5-(5-bromopyridin-3-yl)-3-((6aR,9S,10aS)-10a-methoxy-7,9-dimethyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl)-1,2,4-oxadiazole to produce 5-(5-bromopyridin-3-yl)-3-((6aR,9S,10aS)-10a-methoxy-4,7,9-trimethyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-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": ["CS(C)=O"], "agent": ["[Na]"]} |
Using 1-bromopyrrolidine-2,5-dione, (E)-2-(methoxyimino)-N-methyl-2-(o-tolyl)acetamide to produce (E)-2-(2-(bromomethyl)phenyl)-2-(methoxyimino)-N-methylacetamide, 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 4-((tert-butyldimethylsilyl)oxy)-2,6-dimethylbenzaldehyde to produce 4-hydroxy-2,6-dimethylbenzaldehyde, 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": ["[F-]", "CCCC[N+](CCCC)(CCCC)CCCC"]} |
Using methanolate, 4-chloro-5,6-dihydrofuro[2,3-d]pyrimidin-2-amine to produce 4-methoxy-5,6-dihydrofuro[2,3-d]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": ["CO"], "agent": ["[Na+]"]} |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.