problem
stringlengths 236
970
| answer
stringlengths 34
253
|
|---|---|
Using CCOC(=O)C(C=O)CCc1ccc(C)nc1, CN(C)Cc1ccnc(CSCCNC(=N)N)c1 to produce Cc1ccc(Cc2cnc(NCCSCc3cc(CN(C)C)ccn3)[nH]c2=O)cn1, 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": ["O=S(=O)(O)O", "[Na+]", "CC[O-]"]} |
Using COc1ccc(O)c(C=CC(=O)OC(C)(C)C)c1 to produce COc1ccc(O)c(CCC(=O)OC(C)(C)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": ["CO"], "agent": ["[Pd]"]} |
Using O=Cc1cncc(Cl)c1Cl, NO to produce ON=Cc1cncc(Cl)c1Cl, 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": ["Cl"]} |
Using O=Cc1ccc(Oc2ccccc2)cc1, NCC1CC1 to produce c1ccc(Oc2ccc(CNCC3CC3)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": ["CO"], "agent": ["[BH3-]C#N", "[Na+]"]} |
Using CCNC(=O)Nc1nc2cc(-c3cnc(N4CCC(C)(C(=O)OCC)CC4)nc3)cc(NC(=O)c3ncccn3)c2s1 to produce CCNC(=O)Nc1nc2cc(-c3cnc(N4CCC(C)(C(=O)O)CC4)nc3)cc(NC(=O)c3ncccn3)c2s1, 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": ["CS(C)=O"], "agent": ["CC(C)(C)[O-]", "[K+]"]} |
Using O=Cc1cccc2c(Cl)nccc12 to produce OCc1cccc2c(Cl)nccc12, 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+]", "[BH4-]"]} |
Using CCNCC, Nc1ncc(/C=C/C=O)c2scc(-c3ccc(Oc4ccccc4)cc3)c12 to produce CCN(CC)C/C=C/c1cnc(N)c2c(-c3ccc(Oc4ccccc4)cc3)csc12, 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", "ClCCCl"], "agent": ["[Na+]", "CC(=O)O[BH-](OC(C)=O)OC(C)=O"]} |
Using COC(=O)C=Cc1ccc2nc(C)n(Cc3ccccc3Cl)c2c1 to produce Cc1nc2ccc(C=CC(=O)O)cc2n1Cc1ccccc1Cl, 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+]", "Cl", "[OH-]"]} |
Using Nc1ccc(O)cc1[N+](=O)[O-], O=[N+]([O-])c1ccc(F)cc1 to produce Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1[N+](=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": ["CN(C)C=O"], "agent": ["[Na+]", "[H-]"]} |
Using CC(C)(C)[Si](C)(C)ONC(=O)[C@H]1CC[C@H](n2ncc(C(=O)N(CC(=O)c3c(Cl)cncc3Cl)Cc3cc(F)cc(F)c3)c2C(F)(F)F)CC1 to produce O=C(CN(Cc1cc(F)cc(F)c1)C(=O)c1cnn([C@H]2CC[C@H](C(=O)NO)CC2)c1C(F)(F)F)c1c(Cl)cncc1Cl, 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": ["[F-]", "CCCC[N+](CCCC)(CCCC)CCCC"]} |
Using COC(=O)COc1cccc(N)c1 to produce C=CCN(CC=C)c1cccc(OCC(=O)OC)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": ["C=CCBr"], "agent": ["O=C([O-])[O-]", "[Na+]"]} |
Using N#CCCCBr, Cc1[nH]cnc1CS to produce Cc1[nH]cnc1CSCCCC#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": ["CCO"], "agent": ["[Na]"]} |
Using CCNC(=O)Nc1nc2cc(-c3cnc(N4CCC(CC)(C(=O)OCC)CC4)nc3)cc(C(=O)CC)c2s1 to produce CCNC(=O)Nc1nc2cc(-c3cnc(N4CCC(CC)(C(=O)O)CC4)nc3)cc(C(=O)CC)c2s1, 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 CCOC(=O)c1cc(-c2nnnn2C)cc([N+](=O)[O-])c1 to produce CCOC(=O)c1cc(N)cc(-c2nnnn2C)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", "CCO"], "agent": ["[Pd]"]} |
Using CC(C)n1nc(I)c2c(N)ncnc21, CC(C)(C)OC(=O)n1cc(C=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21 to produce CC(C)n1nc(-c2ccc3[nH]cc(C=O)c3c2)c2c(N)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", "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 CCOC(=O)c1ccc(N(C)CCO[Si](C)(C)C(C)(C)C)cc1 to produce CCOC(=O)c1ccc(N(C)CCO)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": ["[F-]", "CCCC[N+](CCCC)(CCCC)CCCC"]} |
Using [N-]=[N+]=N, OCc1ccccc1C(F)(F)F to produce [N-]=[N+]=NCc1ccccc1C(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": ["Cc1ccccc1"], "agent": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1", "CCOC(=O)N=NC(=O)OCC"]} |
Using CC(=O)OC[C@H]1O[C@@H](n2cc(I)c(=O)[nH]c2=O)C[C@@H]1F, C#C[Si](C)(C)C to produce CC(=O)OC[C@H]1O[C@@H](n2cc(C#C[Si](C)(C)C)c(=O)[nH]c2=O)C[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": ["CCN(CC)CC"], "agent": ["[Cu]I"]} |
Using CC(C)(C)[Si](C)(C)OCCNCc1ccccc1, O=C(O)c1cccnc1Cl to produce CC(C)(C)[Si](C)(C)OCCN(Cc1ccccc1)C(=O)c1cccnc1Cl, 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": ["CCN=C=NCCCN(C)C", "On1nnc2ccccc21", "Cl"]} |
Using Cn1cncc1C(N)(CCCCOCc1cccc(O)c1)c1ccc(C#N)c(F)c1 to produce Cn1cncc1C1(N)CCCCOCc2cccc(c2)Oc2cc1ccc2C#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": ["CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[Cs+]"]} |
Using Cc1cc(COC2CCCCO2)ccc1Cc1ccccc1 to produce Cc1cc(CO)ccc1Cc1ccccc1, 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": ["Cl"]} |
Using Brc1cccc(Br)c1, CC(=O)n1c2ccccc2c2cc(B3OC(C)(C)C(C)(C)O3)ccc21 to produce CC(=O)n1c2ccccc2c2cc(-c3cccc(Br)c3)ccc21, 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", "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 COC(=O)c1ccc(NC(=O)N2CCCC(C3(Cc4cccc(Cl)c4)C(=O)Nc4cc(Cl)ccc43)C2)cn1 to produce O=C(O)c1ccc(NC(=O)N2CCCC(C3(Cc4cccc(Cl)c4)C(=O)Nc4cc(Cl)ccc43)C2)cn1, 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+]", "[OH-]"]} |
Using CC1CCc2c(-c3ccccc3)nc(=O)n(C(C)C)c2C1 to produce Cc1ccc2c(-c3ccccc3)nc(=O)n(C(C)C)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": ["Cc1ccccc1C"], "agent": ["[S]"]} |
Using CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)OC)OCC3=O, CS(=O)(=O)NN to produce CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)OC)OCC3=NNS(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": ["O", "CO"], "agent": ["Cl"]} |
Using Cc1ccc(S(=O)(=O)OCC(F)(F)F)cc1, COC(=O)c1cc(O)nn1C to produce COC(=O)c1cc(OCC(F)(F)F)nn1C, 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 CCCc1c(C(=O)OCC)c(C(F)F)nc(C(F)(F)F)c1C(=O)OCC to produce CCCc1c(C(=O)O)cnc(C(F)(F)F)c1C(=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": ["CO"], "agent": ["[K+]", "[OH-]"]} |
Using CCNCC, CCOP(=O)(CP(=O)(OCC)OCC)OCC to produce C=C(P(=O)(OCC)OCC)P(=O)(OCC)OCC, 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"]} |
Using Cc1nnc(-c2cccc(-c3cn(COCC[Si](C)(C)C)c4ncnc(N[C@@H](C)c5nn6ccc(C)c6c(=O)n5-c5ccccc5)c34)c2)o1 to produce Cc1nnc(-c2cccc(-c3c[nH]c4ncnc(N[C@@H](C)c5nn6ccc(C)c6c(=O)n5-c5ccccc5)c34)c2)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": ["O=C(O)C(F)(F)F"], "agent": ["N"]} |
Using BrCc1ncccc1Br, [C-]#N to produce N#CCc1ncccc1Br, 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": ["[Na+]"]} |
Using C=C(c1ccc(C(=O)OC)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C to produce C=C(c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(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": ["CO"], "agent": ["[K+]", "Cl", "[OH-]"]} |
Using NC=O, CC(=O)CC1(c2ccc(Cl)cc2)CCC1 to produce CC(N)CC1(c2ccc(Cl)cc2)CCC1, 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", "O"], "agent": ["Cl"]} |
Using CCOC(=O)n1nc(NC(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)c2c1CN(S(=O)(=O)c1cccc(F)c1)C2 to produce CCOC(=O)n1nc(NC(=O)c2ccc(N3CCN(C)CC3)c(N)c2)c2c1CN(S(=O)(=O)c1cccc(F)c1)C2, 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": ["Cl", "Cl[Sn]Cl"]} |
Using COC(=O)C1CC2C=CC1O2, CCCCCCCCCCCCCCCCCCN to produce C=CC(=O)NCCCCCCCCCCCCCCCCCC, 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", "ClC(Cl)Cl"], "agent": ["Cl"]} |
Using CCCC(F)(F)C(O)CCC[C@H]1[C@H](C)CC(=O)[C@@H]1C/C=C\CCCC(=O)OC to produce CCCC(F)(F)C(=O)CCC[C@H]1[C@H](C)CC(=O)[C@@H]1C/C=C\CCCC(=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": ["ClCCl", "c1ccncc1"], "agent": ["O=[Cr](=O)=O"]} |
Using Cc1ccc(C(N)=O)cc1Br, CC1(C)OB(c2ccc3cc(NC(=O)c4ccsc4)ccc3c2)OC1(C)C to produce Cc1ccc(C(N)=O)cc1-c1ccc2cc(NC(=O)c3ccsc3)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": ["C1COCCO1", "O"], "agent": ["O=C([O-])[O-]", "[K+]", "[Pd]"]} |
Using NCCCC[C@H](N)C(=O)O to produce NCCCC[C@H](N)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": ["CCO"], "agent": ["[OH-]", "[Zn+2]"]} |
Using [C-]#N, O=C(CBr)c1ccc(Br)s1 to produce N#CCC(=O)c1ccc(Br)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": ["CCO"], "agent": ["[K+]"]} |
Using CCNC(=O)c1ccc(N=[N+]=[N-])cc1, CCCCC(=O)CC(=O)OC to produce CCCCc1c(C(=O)O)nnn1-c1ccc(C(=O)NCC)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": ["C[O-]", "[Na+]", "[OH-]"]} |
Using CCCOc1ccc(CCl)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 to produce CCCOc1ccc(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": ["CCOC(C)=O"], "agent": ["[Pd]"]} |
Using NC(=CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F to produce NC(CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(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": ["CC(C)O", "C1CCOC1"], "agent": ["[Na+]", "CS(=O)(=O)O", "[BH4-]"]} |
Using Nc1ccc(C(F)(F)F)c2cnccc12, O=C=NCc1ccc(C(F)(F)F)cc1 to produce O=C(NCc1ccc(C(F)(F)F)cc1)Nc1ccc(C(F)(F)F)c2cnccc12, 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=C([O-])[O-]", "[K+]"]} |
Using OCCCBr, CC(C)(C)OC(=O)N1CCNCC1 to produce CC(C)(C)OC(=O)N1CCN(CCCO)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-]", "[I-]", "[K+]"]} |
Using COC(=O)[C@@H](CC(=O)O)CC1CCCCC1, NCCNc1ccc(F)cc1 to produce COC(=O)[C@@H](CC(=O)NCCNc1ccc(F)cc1)CC1CCCCC1, 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 CCCCCCCOc1ccc(-n2c(C)ccc2-c2ccc(O[C@H](Cc3ccccc3)C(=O)OCC)cc2)cc1 to produce CCCCCCCOc1ccc(-n2c(C)ccc2-c2ccc(O[C@H](Cc3ccccc3)C(=O)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": ["C1CCOC1", "CO"], "agent": ["[K+]", "Cl", "[OH-]"]} |
Using COC(=O)Cc1ccccc1Br, Cc1ccc(C=O)cc1 to produce COC(=O)C(c1ccccc1)C(O)c1ccc(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": ["CCOCC", "C1CCOC1"], "agent": ["[Zn]", "Cl", "II"]} |
Using Oc1ccc(Cl)cc1, ClCCCBr to produce ClCCCOc1ccc(Cl)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"], "agent": ["[Br-]", "[Na+]", "[OH-]"]} |
Using COCCN(C)CC[C@H](N)C(=O)OC, CC(C)Cn1ncc2cc(Oc3ccc(F)cc3F)c(C(=O)O)cc21 to produce COCCN(C)CC[C@H](NC(=O)c1cc2c(cnn2CC(C)C)cc1Oc1ccc(F)cc1F)C(=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": ["CC(Cl)Cl", "CCN(CC)CC"], "agent": ["CCN=C=NCCCN(C)C", "On1nnc2ccccc21", "Cl"]} |
Using O=C([O-])[O-], N#Cc1cc(NC(=O)c2cc(Br)ccc2Cl)n(-c2ccccc2)n1 to produce NC(=O)c1cc(NC(=O)c2cc(Br)ccc2Cl)n(-c2ccccc2)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": ["CS(C)=O"], "agent": ["OO", "[K+]"]} |
Using CC(=O)OC(C)=O, O=C(O)c1ccc(O)c(-c2ccccc2)c1 to produce CC(=O)Oc1ccc(C(=O)O)cc1-c1ccccc1, 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+]", "Cl", "[OH-]"]} |
Using COC(=O)C(C)(C)N, O=C(Cl)CCl to produce COC(=O)C(C)(C)NC(=O)CCl, 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", "O"], "agent": ["O=C([O-])[O-]", "[K+]", "Cl"]} |
Using Oc1ccc(OCc2ccccc2)cc1, Brc1cncnc1 to produce Oc1ccc(Oc2cncnc2)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": ["O=C([O-])[O-]", "[Cs+]"]} |
Using CCC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1, Fc1ccc(-c2nn3c(c2I)CCCC3)cc1 to produce CCC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nn3c2CCCC3)ccn1, 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", "CCOC(C)=O"], "agent": ["O=C([O-])[O-]", "[Na+]"]} |
Using CC1CCCC(C)C1Oc1ccc2c(n1)OCCN(C(=O)OC(C)(C)C)C2 to produce CC1CCCC(C)C1Oc1ccc2c(n1)OCCNC2, 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": ["Cl"]} |
Using CCC(CC)(CO)CS(N)(=O)=O, Clc1ccc2nccn2n1 to produce CCC(CC)(COc1ccc2nccn2n1)CS(N)(=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": ["CN(C)C=O"], "agent": ["[Na+]", "Cl", "[H-]"]} |
Using CCOC(CBr)OCC, Cc1ccccc1S to produce CCOC(CSc1ccccc1C)OCC, 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]"]} |
Using NCCN1CCOCC1, CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN2C(=O)c3ccccc3C2=O)c1=O to produce NCCn1c(=O)c(C(=O)NCCN2CCOCC2)c(O)c2ncc(Cc3ccc(F)cc3)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": ["CCO", "O"], "agent": ["NN"]} |
Using CC(C)C(Cl)C=C(Cl)C(F)(F)F to produce CC(C)=CC=C(Cl)C(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": ["CN(C)C=O", "O"], "agent": ["[Cl-]", "[Li+]"]} |
Using CCOC(=O)c1c(OS(=O)(=O)C(F)(F)F)nc2ccc(Cl)cc2c1Cc1ccccc1Cl, CNC to produce CCOC(=O)c1c(N(C)C)nc2ccc(Cl)cc2c1Cc1ccccc1Cl, 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": ["O=C([O-])[O-]", "[K+]"]} |
Using CCOC(=O)c1cc[nH]n1, COc1ccc(C(=O)CBr)cc1OC to produce CCOC(=O)c1ccnn1CC(=O)c1ccc(OC)c(OC)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": ["CC(C)=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using CC(=O)CC(C)=O, CCN(CC)Cc1cccc(N)c1 to produce CCN(CC)Cc1cccc(NC(C)=CC(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": ["CC(=O)O", "Cc1ccccc1"], "agent": ["Cc1ccc(S(=O)(=O)O)cc1"]} |
Using COC(=O)C=Cc1ccc2c(c1)cc(C)n2C(=O)OC(C)(C)C to produce CC(C)(C)OC(=O)n1ccc2cc(C=CCO)ccc21, 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 CC(C)(N=NC(C)(C)C(=O)[O-])C(=O)[O-], CC(C)CN to produce CC(C)CNC(=O)C(C)(C)N=NC(C)(C)C(=O)NCC(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", "CO"], "agent": ["C[O-]", "[Na+]"]} |
Using Cc1ncc(C(=NOCc2cccc(N3C(=O)c4ccccc4C3=O)n2)c2ccccc2)n1C to produce Cc1ncc(C(=NOCc2cccc(N)n2)c2ccccc2)n1C, 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": ["NN"]} |
Using COC(CNC(=O)OCc1ccccc1)OC to produce O=CCNC(=O)OCc1ccccc1, 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": ["O=C(O)C(=O)O"]} |
Using O=C(Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c12)c1cc(C(=O)Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc([N+](=O)[O-])c1 to produce Nc1cc(C(=O)Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc(C(=O)Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)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"], "agent": ["[Pd]"]} |
Using Oc1ccc(I)cc1, NC(=O)c1ccc(Cl)nc1 to produce NC(=O)c1ccc(Oc2ccc(I)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": ["O", "CC(=O)N(C)C"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using C[C@@H](OCc1ccccc1)[C@@H](COCC(=O)c1cc(F)c(F)c(F)c1)NC(=O)OC(C)(C)C to produce C[C@@H](O)[C@H]1COC[C@@H](c2cc(F)c(F)c(F)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": ["CCOC(C)=O"], "agent": ["Cl"]} |
Using CCNCC1CCN(Cc2ccccc2)C1 to produce CCNCC1CCNC1, 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]", "[Pd]"]} |
Using O=S(=O)(OCC(F)(F)F)C(F)(F)F, COc1cnnc(-c2ccnn2-c2ccccc2)c1O to produce COc1cn(CC(F)(F)F)nc(-c2ccnn2-c2ccccc2)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", "CO"], "agent": ["[Na+]", "[H-]"]} |
Using CN(C)C=O, CC(C)(C)[Si](OC[C@@H]1C[C@H]1COS(C)(=O)=O)(c1ccccc1)c1ccccc1 to produce CC(C)(C)[Si](OC[C@@H]1C[C@H]1CC#N)(c1ccccc1)c1ccccc1, 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": ["[K+]", "[C-]#N"]} |
Using COC(=O)[C@H](CCSC)NC(=O)c1ccc(C=Cc2cccnc2)cc1-c1ccccc1 to produce COC(=O)[C@H](CCSC)NC(=O)c1ccc(CCc2cccnc2)cc1-c1ccccc1, 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 CCN(CC1CCCC1)c1nc2c(cc1C#N)CCCC2 to produce CCN(CC1CCCC1)c1nc2c(cc1CN)CCCC2, 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 Cc1c([N+](=O)[O-])cnn1C to produce Cc1c(N)cnn1C, 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": ["Cl", "[Pd]"]} |
Using Cc1ccc2[nH]cc(CCN)c2c1, O=[N+]([O-])c1ccc(F)c([N+](=O)[O-])c1 to produce Cc1ccc2[nH]cc(CCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])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", "CCO"], "agent": ["[Na+]", "O=C([O-])O"]} |
Using CC(C)(C)OC(=O)N[C@H](CO)Cc1cccc(I)c1, C#C[Si](C)(C)C to produce CC(C)(C)OC(=O)N[C@H](CO)Cc1cccc(C#C[Si](C)(C)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": ["CCN(CC)CC", "C1CCOC1"], "agent": ["[Cu]I", "Cl[Pd](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1"]} |
Using Cc1cnc(N2CCN(C(=O)c3ccc(N4C(=O)CCC4C)cc3C(=O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC2)c(C)c1 to produce Cc1cnc(N2CCN(C(=O)c3ccc(N4C(=O)CCC4C)cc3C(=O)N(C)C)CC2)c(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": ["C1CCOC1"], "agent": ["CNC"]} |
Using CC(C)(C)OC(=O)c1sc([N+](=O)[O-])c(S(N)(=O)=O)c1CNS(C)(=O)=O to produce CS(=O)(=O)NCc1csc([N+](=O)[O-])c1S(N)(=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": ["C1COCCO1"], "agent": ["Cl"]} |
Using O=C([O-])O, N#Cc1ncc(F)cc1F to produce O=Cc1ncc(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": ["ClCCl"], "agent": ["[Na+]", "Cl", "CC(C)C[AlH]CC(C)C"]} |
Using O=C(c1ccccc1)c1ccc(O)cc1O, Cc1oc(-c2ccccc2)nc1CCl to produce Cc1oc(-c2ccccc2)nc1COc1ccc(C(=O)c2ccccc2)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": ["CC(C)=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using CC(C)(C)OC(=O)Nc1cc(Cl)cc(Oc2cncnc2)c1 to produce Nc1cc(Cl)cc(Oc2cncnc2)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": ["C1COCCO1"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using O=[N+]([O-])c1c(Cl)nc(C2CC2)nc1Cl to produce Nc1c(Cl)nc(C2CC2)nc1Cl, 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": ["[Ni]"]} |
Using CCOc1ccc2c(c1F)C(F)(F)C(F)(F)c1c(F)cccc1-2, II to produce CCOc1ccc2c(c1F)C(F)(F)C(F)(F)c1c-2ccc(I)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 CNC(=O)c1ccc(F)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12 to produce CNC(=O)c1ccc(F)c2c(C(O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]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": ["[Na+]", "[BH4-]"]} |
Using [O-]c1ccccc1, CC(C)(C)C(=O)OC1Cn2c(-c3ccnc(S(C)(=O)=O)n3)c(-c3ccc(F)cc3)c(=O)n2C1 to produce O=c1c(-c2ccc(F)cc2)c(-c2ccnc(Oc3ccccc3)n2)n2n1CC(O)C2, 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+]"]} |
Using COC(=O)c1cc(-c2ccc(F)cc2)ccc1OCCc1csc(SC(C)(C)C(=O)OC(C)(C)C)n1 to produce CC(C)(C)OC(=O)C(C)(C)Sc1nc(CCOc2ccc(-c3ccc(F)cc3)cc2C(=O)O)cs1, 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 CN, NC(=O)c1cc(-c2ccc(C=O)s2)cc2c(C3CCN(S(=O)(=O)CCCN4CCOCC4)CC3)c[nH]c12 to produce CNCc1ccc(-c2cc(C(N)=O)c3[nH]cc(C4CCN(S(=O)(=O)CCCN5CCOCC5)CC4)c3c2)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": ["ClCCl", "CO"], "agent": ["[Na+]", "[BH4-]"]} |
Using CC(C)(C)OC(=O)n1cnc2ccc(F)cc21, CCOC(=O)c1ccc(Oc2nccnc2Cl)cc1 to produce O=C(c1ccc(Oc2nccnc2Cl)cc1)c1nc2ccc(F)cc2[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": ["C1CCOC1"], "agent": ["C[Si](C)(C)[N-][Si](C)(C)C", "[Li+]"]} |
Using N=C(N)N, CCOC(=O)CC(=O)C(OCC)OCC to produce CCOC(OCC)c1cc(=O)[nH]c(N)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"], "agent": ["O=C(O)O"]} |
Using CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O, N[C@@H]1CC[C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@H]21 to produce CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC[C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@H]21, 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", "Oc1cccc2[nH]nnc12"]} |
Using CCOC(=O)CCc1ccc(OCc2cccc(-c3c(C)cc(O)cc3C)c2)cc1F, OC1CCSCC1 to produce CCOC(=O)CCc1ccc(OCc2cccc(-c3c(C)cc(OC4CCSCC4)cc3C)c2)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": ["C1CCOC1"], "agent": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1", "CCOC(=O)N=NC(=O)OCC"]} |
Using N#Cc1cccc(C2OC(O)c3cnccc32)c1 to produce N#Cc1cccc(C(O)c2ccncc2CO)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", "CCO"], "agent": ["[Na+]", "[BH4-]"]} |
Using [OH-], CCCCCCCC1CCC(=O)O1 to produce CCCCCCCC(O)CCC(=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": ["CO"], "agent": ["[Na+]"]} |
Using Cc1ccc(Cl)c(Oc2cc(C#N)cc(Cl)n2)c1F, O=C1CCC(=O)N1Br to produce N#Cc1cc(Cl)nc(Oc2c(Cl)ccc(CBr)c2F)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": ["ClC(Cl)(Cl)Cl"], "agent": ["CC(C)(C#N)N=NC(C)(C)C#N"]} |
Using [NH2-], COc1ccc2ccncc2c1 to produce Nc1nccc2ccc(O)cc12, 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", "Cc1ccccc1C"], "agent": ["Br", "[Na+]"]} |
Using COC(=O)COc1cc(N)nc(C)c1C#N to produce COC(=O)COc1cc(N)nc(C)c1CN, 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", "CO"], "agent": ["Cl", "[Pd]"]} |
Using O=C(c1ccc(Cl)cc1)c1cccnc1-n1ccnc1 to produce OC(c1ccc(Cl)cc1)c1cccnc1-n1ccnc1, 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", "O"], "agent": ["[Na+]", "[BH4-]"]} |
Using C#Cc1ccccc1, Nc1cc(Br)ccc1[N+](=O)[O-] to produce Nc1cc(C#Cc2ccccc2)ccc1[N+](=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", "CC(C)NC(C)C"], "agent": ["I[Cu]I", "Cl[Pd](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1"]} |
Using CN(C)C=O, CCOC(=O)c1cc(OC)c2ccn(C3CC3)c2c1 to produce CCOC(=O)c1cc(OC)c2c(C=O)cn(C3CC3)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": ["CCOC(C)=O", "O=P(Cl)(Cl)Cl"], "agent": ["[Na+]", "[OH-]"]} |
Using CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)Nc2cc(Oc3ccc(C#N)cc3)cc(Oc3ccc([N+](=O)[O-])c(N)c3)c2)CC1 to produce CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)Nc2cc(Oc3ccc(C#N)cc3)cc(Oc3ccc(N)c(N)c3)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": ["CO"], "agent": ["[NH4+]", "[Cl-]", "[Zn]"]} |
Subsets and Splits