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Using O=[N+]([O-])c1cccc(I)c1, C#C[Si](C)(C)C to produce C[Si](C)(C)C#Cc1cccc([N+](=O)[O-])c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCN(CC)CC"], "agent": ["[Cu]I", "Cl[Pd](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1"]} |
Using COC(=O)c1ccc2nc(C3=Cc4cc(F)ccc4C3)c(N3CCCc4cc(F)ccc43)nc2c1, [OH-] to produce O=C(O)c1ccc2nc(-c3cc4cc(F)ccc4o3)c(N3CCCc4cc(F)ccc43)nc2c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1", "CO"], "agent": ["[Na+]"]} |
Using ClCCl, CC(C)(C)OC(=O)N1CCCC(Nc2cccc3cnccc23)C1 to produce c1cc(NC2CCCNC2)c2ccncc2c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCOC(C)=O", "CO"], "agent": ["Cl"]} |
Using CC(C)CCCC(C)CCBr, O=c1ccc2cc(O)ccc2o1 to produce CC(C)CCCC(C)CCOc1ccc2oc(=O)ccc2c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["[Na+]", "[H-]"]} |
Using C=CCI, COC(=O)c1cnc2ccc(=O)[nH]c2c1 to produce C=CCn1c(=O)ccc2ncc(C(=O)OC)cc21, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCOC(C)=O", "CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using COc1cc2c(Oc3ccccc3)ncnc2cc1OCCOC1CCCC1 to produce COc1cc2c(=O)[nH]cnc2cc1OCCOC1CCCC1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O"], "agent": ["Cl"]} |
Using C[O-], Cc1cccc(N2CCN(c3ccc(Cl)nn3)CC2)c1 to produce COc1ccc(N2CCN(c3cccc(C)c3)CC2)nn1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "CO"], "agent": ["[Na+]", "[Na]"]} |
Using Nc1ccc(-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc23)cc1, Cc1cc(C)cc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)c1 to produce Cc1cc(C)cc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["F[P-](F)(F)(F)(F)F", "CN(C)C(On1nnc2cccnc21)=[N+](C)C"]} |
Using CCOC(=O)CO[Si](C)(C)C(C)(C)C, CNOC to produce CON(C)C(=O)CO[Si](C)(C)C(C)(C)C, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["CC(C)[Mg]Cl", "Cl"]} |
Using COC(=O)c1sc(-c2c(C)nn3ccccc23)nc1OS(=O)(=O)C(F)(F)F, C=CCB1OC(C)(C)C(C)(C)O1 to produce C=CCc1nc(-c2c(C)nn3ccccc23)sc1C(=O)OC, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "COCCOC"], "agent": ["O=C([O-])[O-]", "[Cs+]"]} |
Using CS(=O)(=O)c1ccc(OCC[C@@H]2C[C@@H]2C2CCN(C(=O)OCc3ccccc3)CC2)nc1 to produce CS(=O)(=O)c1ccc(OCC[C@@H]2C[C@@H]2C2CCNCC2)nc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CO"], "agent": ["[Pd]"]} |
Using COc1cc2c(c(Cl)c1Cl)C(=O)C(C)(C)C2c1ccccc1 to produce CC1(C)C(=O)c2c(cc(O)c(Cl)c2Cl)C1c1ccccc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "c1ccncc1"], "agent": ["Cl"]} |
Using CCOC(=O)C1=C(C)Nc2c(c(=O)[nH]c(=O)n2-c2ccccc2)C1c1ccccc1, O=P(Cl)(Cl)Cl to produce CCOC(=O)C1=C(C)Nc2c(c(Cl)nc(=O)n2-c2ccccc2)C1c1ccccc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O", "ClC(Cl)Cl"], "agent": ["[K+]", "CC(=O)[O-]"]} |
Using Nc1ccc(F)cc1C(=O)c1c(F)cccc1F to produce Nc1ccc(F)cc1Cc1c(F)cccc1F, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["OCCOCCO"], "agent": ["[K+]", "[OH-]"]} |
Using CC(=O)O, COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(C(N)=O)CNC1 to produce COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(C(N)=O)CN(C(C)=O)C1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"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 CC(=O)OC(C)=O, CCCCCCCCOC(=O)C(C)=O to produce C=C(OC(C)=O)C(=O)OCCCCCCCC, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC(=O)O", "O"], "agent": ["Cc1ccc(S(=O)(=O)O)cc1"]} |
Using O=C(O)CCCCC(S)CCS to produce O=C(O)CCCCC1CCSS1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O"], "agent": ["[Na+]", "[OH-]"]} |
Using O=C([O-])[O-], C=CCOC(=O)c1c(O)cccc1CC=C to produce C=CCOC(=O)c1c(CC=C)cccc1OC, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CI", "CC(C)=O"], "agent": ["[K+]"]} |
Using Nc1nc(Cl)cc(NCC2(CO)CCC2)n1 to produce Nc1nccc(NCC2(CO)CCC2)n1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCO", "C1=CCCCC1"], "agent": ["[OH-]", "[Pd+2]"]} |
Using CC(C)[N-]C(C)C, O=C(OCc1ccccc1)C1CC2(CC2)C1 to produce CC1(C(=O)OCc2ccccc2)CC2(CC2)C1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CI", "C1CCOC1"], "agent": ["[Li+]"]} |
Using CC(=O)OC(C)=O, CC(=O)C(C)=O to produce C=C(OC(C)=O)C(C)=O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCOCC", "CCN(CC)CC"], "agent": ["CN(C)c1ccccn1"]} |
Using CCCc1cccc2c(/C=C(/C)C(=O)OCC)cc(OC)c(OCOC)c12 to produce CCCc1cccc2c(/C=C(/C)C(=O)O)cc(OC)c(OCOC)c12, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCO"], "agent": ["[K+]", "Cl", "[OH-]"]} |
Using CCOC(=O)CBr, O=C1Nc2ccccc2CCC1Br to produce CCOC(=O)CN1C(=O)C(Br)CCc2ccccc21, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using CC(C)(C)OC(=O)N1C[C@H](Cc2ccc(Cl)c(Cl)c2)C[C@H]1COS(C)(=O)=O, [C-]#N to produce CC(C)(C)OC(=O)N1C[C@H](Cc2ccc(Cl)c(Cl)c2)C[C@H]1CC#N, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCOC(C)=O", "CS(C)=O"], "agent": ["O=C([O-])[O-]", "[Na+]"]} |
Using C#CCCO, Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cccc(I)c21 to produce Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cccc(C#CCCO)c21, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCNCC"], "agent": ["I[Cu]I", "Cl[Pd](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1"]} |
Using C[S-], Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-] to produce CSc1cc(N)c([N+](=O)[O-])cc1Cl, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["[Na+]"]} |
Using O=[N+]([O-])c1ccc(F)cc1, Sc1ccccn1 to produce O=[N+]([O-])c1ccc(Sc2ccccn2)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["[Na+]", "[H-]"]} |
Using CCCCCCCCCCOc1cnc(-c2ccc(Br)cc2)nc1, C#CCCCC(C)O to produce CCCCCCCCCCOc1cnc(-c2ccc(C#CCCCC(C)O)cc2)nc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCN(CC)CC"], "agent": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1", "I[Cu]I", "Cl[Pd](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1"]} |
Using CC(C)(C)OC(=O)N1CCN(c2ccccc2C=O)CC1, CNC to produce CN(C)Cc1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClCCCl", "C1CCOC1"], "agent": ["[Na+]", "CC(=O)O[BH-](OC(C)=O)OC(C)=O"]} |
Using COC(=O)c1nc(C(C)C)sc1C to produce Cc1sc(C(C)C)nc1C(=O)O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "CO"], "agent": ["[Li+]", "[OH-]"]} |
Using COc1cccc(C(=O)CBr)c1, CC1(C)OB(c2ccc(N)nc2)OC1(C)C to produce COc1cccc(-c2cn3cc(B4OC(C)(C)C(C)(C)O4)ccc3n2)c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCCO"], "agent": ["[Na+]", "O=C([O-])O"]} |
Using CON=C1CN(Cc2ccccc2)CC1(CN=[N+]=[N-])COS(C)(=O)=O to produce CON=C1CN(Cc2ccccc2)CC1(CN)COS(C)(=O)=O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCOC(C)=O"], "agent": ["[H][H]", "[Ni]"]} |
Using CCOC(=O)c1cc(C)n(Cc2cc(Cl)ccc2O)n1, Clc1ccc(CBr)cc1 to produce CCOC(=O)c1cc(C)n(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)n1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]", "[I-]"]} |
Using Cc1c[nH]c2c(=O)n(C)c(=O)n(C)c12, O=C(CBr)Nc1nc(-c2cc(Cl)c(OCCC(F)(F)F)c(Cl)c2)cs1 to produce Cn1c(=O)c2c(ccn2CC(=O)Nc2nc(-c3cc(Cl)c(OCCC(F)(F)F)c(Cl)c3)cs2)n(C)c1=O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["[Na+]", "[H-]"]} |
Using OB(O)c1ccc(C(F)(F)F)cc1, COC(=O)c1ccc(Cl)nc1 to produce COC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1COCCO1"], "agent": ["[F-]", "[Cs+]"]} |
Using CCOC(=O)[C@@](C)(CCBr)S(C)(=O)=O, O=c1cc(I)c(F)c[nH]1 to produce CCOC(=O)[C@@](C)(CCn1cc(F)c(I)cc1=O)S(C)(=O)=O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["O=C([O-])[O-]", "[Cs+]"]} |
Using CN(C)C=O, CS(=O)(=O)c1cccc(Cl)n1 to produce N#Cc1cccc(Cl)n1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O"], "agent": ["[Na+]", "[C-]#N"]} |
Using O=C(OC[C@H]1O[C@@H](n2cnc3c2N=CNCC3=O)[C@@H](F)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 to produce O=C1CNC=Nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CO"], "agent": ["C[O-]", "[Na+]"]} |
Using COc1ccc(F)cc1-c1noc(-c2ccc(-c3ccccc3C)c(CO)c2)n1 to produce COc1ccc(F)cc1-c1noc(-c2ccc(-c3ccccc3C)c(C=O)c2)n1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClCCl"], "agent": ["[O-2]", "[Mn+4]"]} |
Using O=C(O)c1c(Nc2ccc(I)cc2F)c(F)c(=O)n2c1CCC2, CC(C)(C)OCCON to produce CC(C)(C)OCCONC(=O)c1c(Nc2ccc(I)cc2F)c(F)c(=O)n2c1CCC2, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O", "CN1CCOCC1"], "agent": ["F[P-](F)(F)(F)(F)F", "CN(C)C(On1nnc2cccnc21)=[N+](C)C"]} |
Using Cc1cccc(C)c1-n1nc(C(C)(C)C)cc1Nc1cccnc1C(=O)O, ClCCl to produce Cc1cccc(C)c1-n1nc(C(C)(C)C)c(Cl)c1Nc1cccnc1C(=O)O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC(=O)O", "O"], "agent": ["O=C1CCC(=O)N1Cl", "[K+]", "[OH-]"]} |
Using O=[N+]([O-])c1cnc2cccc(Cl)n12, CS(=O)(=O)N1CCC(O)CC1 to produce CS(=O)(=O)N1CCC(Oc2cccc3ncc([N+](=O)[O-])n23)CC1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O", "O"], "agent": ["[Na+]", "[H-]"]} |
Using Cc1cc(F)ccc1CC#N, Cc1ccc(S(=O)(=O)N(CCCl)CCCl)cc1 to produce Cc1ccc(S(=O)(=O)N2CCC(C#N)(c3ccc(F)cc3C)CC2)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["Cc1ccccc1"], "agent": ["[Li+]", "[NH2-]"]} |
Using CN(C)c1cccc2c(S(=O)(=O)NCC(=O)N3CCC[C@H]3C(=O)OC(C)(C)C)cccc12 to produce CN(C)c1cccc2c(S(=O)(=O)NCC(=O)N3CCC[C@H]3C(=O)O)cccc12, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1COCCO1", "CCOCC"], "agent": ["Cl"]} |
Using CI, O=C(c1cc2nccc(Cl)c2s1)N1CC[C@@H](O)C1 to produce CO[C@@H]1CCN(C(=O)c2cc3nccc(Cl)c3s2)C1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Na+]", "[H-]"]} |
Using COC(=O)c1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2B2OC(C)(C)C(C)(C)O2)s1, Brc1ccc2ncc(-c3nccs3)n2c1 to produce COC(=O)c1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccc3ncc(-c4nccs4)n3c2)s1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["[K+]", "O=P([O-])([O-])[O-]"]} |
Using O=S(=O)(Cl)CC(F)(F)F, CC(NCc1cccnc1)c1ccc(Br)cc1 to produce CC(c1ccc(Br)cc1)N(Cc1cccnc1)S(=O)(=O)CC(F)(F)F, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClCCl"], "agent": ["CN(C)c1ccncc1"]} |
Using O=Cc1ccc2c(c1)CCN2Cc1ccccc1 to produce Cc1ccc2c(c1)CCN2, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCO"], "agent": ["[H][H]"]} |
Using O=Cc1ccccc1, C[C@H](N)CO to produce C[C@@H](CO)NCc1ccccc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC(=O)O", "ClCCl"], "agent": ["[Na+]", "CC(=O)O[BH-](OC(C)=O)OC(C)=O"]} |
Using O=CCn1c(=O)c(Br)cc2ccccc21, CC(C)(C)OC(=O)N(Cc1ccc2c(c1)OCCO2)C1CCNCC1 to produce CC(C)(C)OC(=O)N(Cc1ccc2c(c1)OCCO2)C1CCN(CCn2c(=O)c(Br)cc3ccccc32)CC1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC(=O)O", "ClC(Cl)Cl"], "agent": ["CC(=O)O[BH-](OC(C)=O)OC(C)=O", "[Na+]", "O=C([O-])O"]} |
Using COc1ccc2nc(C=Cc3ccccn3)nc(N[C@H]3CC[C@@H](CNC(=O)C(F)(F)F)CC3)c2c1 to produce COc1ccc2nc(C=Cc3ccccn3)nc(N[C@H]3CC[C@@H](CN)CC3)c2c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "CO"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using Cn1ccc2c(I)ncnc21, COCN(c1cc(Cl)cnc1C(=O)N(C)OC)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 to produce Cn1ccc2c(C(=O)c3ncc(Cl)cc3NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)ncnc21, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCO", "C1CCOC1"], "agent": ["CC(C)[Mg]Cl", "Cl"]} |
Using BrCc1cccc(Br)c1, Cc1n[nH]c(-c2cc(-c3ccc(OC(F)(F)F)cc3)on2)n1 to produce Cc1nc(-c2cc(-c3ccc(OC(F)(F)F)cc3)on2)nn1Cc1cccc(Br)c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O", "O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using FC1CCNC1, CC(C)(C)OC(=O)CCc1nccc2c(-c3noc(-c4ccc(F)c(C#N)c4)n3)cccc12 to produce CC(C)(C)OC(=O)CCc1nccc2c(-c3noc(-c4ccc(N5CCC(F)C5)c(C#N)c4)n3)cccc12, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["[Na+]", "[H-]"]} |
Using Cc1ccc(B(O)O)cc1, COc1cc(Cl)ccc1Oc1cccc(F)n1 to produce COc1cc(-c2ccc(C)cc2)ccc1Oc1cccc(F)n1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "COCCOC"], "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 CC[C@@H](NC(=O)OC(C)(C)C)c1ccc(Cl)c(C(=O)c2ccc(OC)nc2)c1F to produce CC[C@@H](N)c1ccc(Cl)c(C(=O)c2ccc(=O)[nH]c2)c1F, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O"], "agent": ["Cl"]} |
Using C#C/C=C(\CC)c1ccc(COc2ccc(CO[Si](C)(C)C(C)(C)C)c(CO[Si](C)(C)C(C)(C)C)c2)s1, O=C(C(F)(F)F)C(F)(F)F to produce CC/C(=C\C#CC(O)(C(F)(F)F)C(F)(F)F)c1ccc(COc2ccc(CO[Si](C)(C)C(C)(C)C)c(CO[Si](C)(C)C(C)(C)C)c2)s1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Li]CCCC"]} |
Using Brc1ccccc1I, OB(O)c1cccc2ccccc12 to produce Brc1ccccc1-c1cccc2ccccc12, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["Cc1ccccc1"], "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 NC1C=Cc2ccccc2C1=S, COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl to produce O=C(O)c1cc([N+](=O)[O-])cc2c1Nc1ccc3ccccc3c1S2, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCO"], "agent": ["[Na+]", "[OH-]"]} |
Using N#CCCC1COc2ccccc2O1, CC(=O)[O-] to produce CC(=O)NCCCC1COc2ccccc2O1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC(=O)OC(C)=O", "O"], "agent": ["[H][H]", "[Na+]", "[Ni]"]} |
Using CCCCc1cc(C(=O)OCC)nn1Cc1ccc(-c2ccccc2C#N)cc1 to produce CCCCc1cc(C(=O)O)nn1Cc1ccc(-c2ccccc2C#N)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "CO"], "agent": ["[Na+]", "[OH-]"]} |
Using CCOC(=O)COCc1cnc(-c2cc3cccc(N(C)S(=O)(=O)c4cccs4)c3[nH]2)s1 to produce CN(c1cccc2cc(-c3ncc(COCC(=O)O)s3)[nH]c12)S(=O)(=O)c1cccs1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1", "CO"], "agent": ["[Na+]", "[OH-]"]} |
Using CCC(CC)c1ccc(Br)c2[nH]c(=O)n(C)c12, C[Sn](C)(C)C to produce CCC(CC)c1ccc(C)c2[nH]c(=O)n(C)c12, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "CN(C)P(=O)(N(C)C)N(C)C"], "agent": ["c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using CCOC(=O)COc1ccc(F)c(NCc2c(F)ccc(-c3cccc(F)c3)c2C)c1F to produce Cc1c(-c2cccc(F)c2)ccc(F)c1CNc1c(F)ccc(OCC(=O)O)c1F, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1", "CO"], "agent": ["[Na+]", "[OH-]"]} |
Using O=C(CC[C@H](NC(=O)OCc1ccccc1)C(=O)O)OCc1ccccc1, CC(C)[C@H](N)C(=O)N[C@H](C(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C to produce CC(C)[C@H](NC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["On1nnc2ccccc21", "Cl", "C(=NC1CCCCC1)=NC1CCCCC1"]} |
Using CS(=O)(=O)Cl, Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccc(F)cc1F to produce CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccc(F)cc1F, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["c1ccncc1"], "agent": ["Cl"]} |
Using CCCCCOCCCCOc1cccc(F)c1F, CC(C)OB(OC(C)C)OC(C)C to produce CCCCCOCCCCOc1ccc(B(O)O)c(F)c1F, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Li]CCCC"]} |
Using CC(C)(C)OC(=O)N1CCC(=C2C(=O)Nc3cc(Cl)ccc32)CC1 to produce CC(C)(C)OC(=O)N1CCC(C2C(=O)Nc3cc(Cl)ccc32)CC1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "CO"], "agent": ["[Na+]", "[BH4-]"]} |
Using NC(N)=S, COC(=O)c1ccc(C(=O)CBr)cc1 to produce COC(=O)c1ccc(-c2csc(N)n2)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "CC(C)O"], "agent": ["O=C([O-])[O-]", "[Na+]"]} |
Using CC(C)(C)OC(=O)N1CC2CNCC2C1, CCN(CC)CC to produce CC(C)(C)OC(=O)N1CC2CN(C(=O)OCc3ccccc3)CC2C1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClC(Cl)Cl"], "agent": ["Cl"]} |
Using O=C1CC2(CCCCC2)C1(Cl)Cl to produce O=C1CC2(CCCCC2)C1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "CC(=O)O"], "agent": ["[Zn]"]} |
Using Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1CC(=O)O, C1CNC[C@H](CNC2CC2)C1 to produce Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1CC(=O)N1CCC[C@@H](CNC2CC2)C1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["CCN=C=NCCCN(C)C", "On1nnc2ccccc21"]} |
Using CCOC(=O)c1ccc(CBr)cc1, Cc1cnc(C(O)(C(C)c2ccc(O)cc2Cl)C(F)(F)F)cn1 to produce CCOC(=O)c1ccc(COc2ccc(C(C)C(O)(c3cnc(C)cn3)C(F)(F)F)c(Cl)c2)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC(C)=O"], "agent": ["O=C([O-])[O-]", "[K+]", "[I-]"]} |
Using COc1ccc2ncc(N)c(Br)c2n1 to produce COc1ccc2ncc(N)cc2n1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CO"], "agent": ["[Na+]", "O=C([O-])O", "[Pd]"]} |
Using CC(=O)O[BH-](OC(C)=O)OC(C)=O, Nc1ncnn2c(-c3ccc(N4CCNCC4)cc3)cc(-c3ccc4cn(Cc5ccccc5)nc4c3)c12 to produce CN1CCN(c2ccc(-c3cc(-c4ccc5cn(Cc6ccccc6)nc5c4)c4c(N)ncnn34)cc2)CC1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClCCl"], "agent": ["[Na+]", "C=O"]} |
Using CC(O)I, COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F to produce COc1cc(C(=O)OCCI)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCN(CC)CC"], "agent": ["O=C1OCCN1P(=O)(Cl)N1CCOC1=O"]} |
Using c1ccc2scnc2c1, CON(C)C(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 to produce CC(C)(C)OC(=O)NC1CCC(C(=O)c2nc3ccccc3s2)CC1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "C1CCOC1"], "agent": ["[Li]CCCC"]} |
Using [I-], Nc1ccc(F)cc1C(=O)CCl to produce Nc1ccc(F)cc1C(=O)CI, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC#N"], "agent": ["[Na+]"]} |
Using CN(C)C(=O)c1c(Cl)ccc([N+](=O)[O-])c1O, CCOc1c(OCC)c(=O)c1=O to produce CCOc1c(Nc2ccc(Cl)c(C(=O)N(C)C)c2O)c(=O)c1=O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "CO"], "agent": ["[H][H]", "O=[Pt]"]} |
Using NCc1ccc(F)cc1Cl, C=C(C)CN1C(=O)CC[C@H]1C(=O)O to produce C=C(C)CN1C(=O)CC[C@H]1C(=O)NCc1ccc(F)cc1Cl, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClCCl"], "agent": ["CCN=C=NCCCN(C)C", "On1nnc2ccccc21", "Cl"]} |
Using BrCc1ccccc1, CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C to produce CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](OCc1ccccc1)[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Na+]", "[I-]"]} |
Using CCc1ccc(Oc2ccc(-c3cccnc3N)cc2)cc1, O=S(=O)(Cl)CCCl to produce CCc1ccc(Oc2ccc(C3=CC=CN4CCS(=O)(=O)N=C34)cc2)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Na+]", "[H-]"]} |
Using Cc1c(S(=O)(=O)NCCCN(C)C)sc2ncnc(Cl)c12, CC(C)Oc1cc(F)ccc1N to produce Cc1c(S(=O)(=O)NCCCN(C)C)sc2ncnc(Nc3ccc(F)cc3OC(C)C)c12, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1COCCO1", "O"], "agent": ["[NH4+]", "Cl", "[OH-]"]} |
Using CC(=O)CC(=O)CC(C)C, C1CCOC1 to produce CC(=O)C(C)C(=O)CC(C)C, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "CI"], "agent": ["[Na+]", "[H-]"]} |
Using O=C(O)c1ccc(Cn2ccc3ccccc3c2=O)o1, Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1CN to produce Cc1cc(N)nc(C)c1CNC(=O)c1ccc(Cn2ccc3ccccc3c2=O)o1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["Cc1cc(C)nc(C)c1", "C1CCOC1"], "agent": ["F[P-](F)(F)(F)(F)F", "CN(C)C(On1nnc2cccnc21)=[N+](C)C"]} |
Using CC1(CO[Si](C)(C)C(C)(C)C)Cc2nnc(C3(c4ccc(B5OC(C)(C)C(C)(C)O5)cc4)CC3)n2CCS1, Cc1ncccc1Br to produce Cc1ncccc1-c1ccc(C2(c3nnc4n3CCSC(C)(CO[Si](C)(C)C(C)(C)C)C4)CC2)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "COCCOC"], "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 COC(=O)CNc1cc(C)c(-c2nc3cc(C(=O)Nc4ccc(C)c(C)c4)ccc3[nH]2)c(C)c1 to produce Cc1ccc(NC(=O)c2ccc3[nH]c(-c4c(C)cc(NCCO)cc4C)nc3c2)cc1C, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Al+3]", "[Li+]", "[H-]"]} |
Using NOS(=O)(=O)O, CCOC(=O)c1ncc[nH]1 to produce CCOC(=O)c1nccn1N, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using COC(=O)c1ccc(NC(=O)c2cc(OCC(C)C)cc(OC(C)C)c2)nc1 to produce CC(C)COc1cc(OC(C)C)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "C1CCOC1"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using C#CCCCCCCCCCC, O=Cc1cccc(Br)c1 to produce CCCCCCCCCCC#Cc1cccc(C=O)c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCOC(C)=O", "CCN(CC)CC"], "agent": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1", "[Cu]I", "Cl[Pd]Cl"]} |
Using O=C1CCCc2ccc(O)cc21, NO to produce ON=C1CCCc2ccc(O)cc21, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "CCO"], "agent": ["CC(=O)[O-]", "[Na+]", "Cl"]} |
Using Cc1cccc2nn(-c3cc(Cl)ccc3O)nc12, CCOC(=O)Cc1ccc(OCCCBr)cc1 to produce CCOC(=O)Cc1ccc(OCCCOc2ccc(Cl)cc2-n2nc3cccc(C)c3n2)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC#N"], "agent": ["O=C([O-])[O-]", "[Cs+]"]} |
Using CN1CCNCC1, CN1Cc2c(C3CCC(=O)CC3)ccc(N)c2C1=O to produce CN1CCN([C@H]2CC[C@H](c3ccc(N)c4c3CN(C)C4=O)CC2)CC1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClCCCl"], "agent": ["[Na+]", "CC(=O)O[BH-](OC(C)=O)OC(C)=O"]} |
Using CC1(C)OB(c2ccc(F)nc2)OC1(C)C, Cc1ccc2c(c1)c1c(n2-c2cccc(Br)c2)CCN(C)C1 to produce Cc1ccc2c(c1)c1c(n2-c2cccc(-c3ccc(F)nc3)c2)CCN(C)C1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "COCCOC"], "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 CCc1ccc(Cc2cc3c(cc2Cl)C(O)C[C@]32O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1, CI to produce CCc1ccc(Cc2cc3c(cc2Cl)C(OC)C[C@]32O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Na+]", "[H-]"]} |
Using Oc1ccc(Br)cc1, CCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2CO)cc1 to produce CCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2COc2ccc(Br)cc2)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["Cc1ccccc1", "C1CCOC1"], "agent": ["CCCCP(CCCC)CCCC", "O=C(N=NC(=O)N1CCCCC1)N1CCCCC1"]} |
Using O=C(NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1)NC1CCNCC1, O=C(Cl)c1ccccc1 to produce O=C(NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1)NC1CCN(C(=O)c2ccccc2)CC1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClCCl", "CCN(C(C)C)C(C)C"], "agent": ["Cl"]} |
Using CCOC(=O)Cc1c(-c2ccccc2)c2cc(C)c(Cl)cc2oc1=O, O=C1CCC(=O)N1Br to produce O=C(O)Cc1c(-c2ccccc2)c2cc(CBr)c(Cl)cc2oc1=O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCOC(C)=O", "CC(=O)O"], "agent": ["Cl"]} |
Using COS(=O)(=O)OC, O=[N+]([O-])c1ccc2c(c1)nc1n2CC(O)C1 to produce COC1Cc2nc3cc([N+](=O)[O-])ccc3n2C1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "C1CCOC1"], "agent": ["[Na+]", "[H-]"]} |
Using C=CC(=O)OC(C)(C)C, CCCOc1ccc(Br)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 to produce CCCOc1ccc(/C=C/C(=O)OC(C)(C)C)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC#N", "CCN(CC)CC"], "agent": ["Cc1ccccc1P(c1ccccc1C)c1ccccc1C", "CC(=O)[O-]", "[Pd+2]"]} |
Subsets and Splits