problem
stringlengths 236
970
| answer
stringlengths 34
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Using CCOC(=O)CC(=O)[O-], CCOC(=O)C1NCCc2nc(CC)n(Cc3ccc(-c4ccccc4C(=O)OC(C)(C)C)cc3)c21 to produce CCOC(=O)CC(=O)N1CCc2nc(CC)n(Cc3ccc(-c4ccccc4C(=O)OC(C)(C)C)cc3)c2C1C(=O)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": ["ClCCl", "CCN(CC)CC"], "agent": ["CCN=C=NCCCN(C)C", "Cl"]}
|
Using Cc1nc(-c2ccccc2)nc(-c2cccc([N+](=O)[O-])c2)c1CN1CCNCC1, O=C(Cl)c1ccco1 to produce Cc1nc(-c2ccccc2)nc(-c2cccc([N+](=O)[O-])c2)c1CN1CCN(C(=O)c2ccco2)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(CC)CC"], "agent": ["Cl"]}
|
Using Cn1c2ccc(Cl)cc2c2c(CC(=O)O)nn(-c3ccccc3)c(=O)c21 to produce Cn1c2ccccc2c2c(CC(=O)O)nn(-c3ccccc3)c(=O)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": ["CCO", "ClCCl"], "agent": ["O=C[O-]", "[NH4+]", "[Pd]"]}
|
Using Brc1ccc(Br)c2nn(-c3ccncc3)nc12, CCCC[Sn](CCCC)(CCCC)c1scc2c1OCCO2 to produce c1cc(-n2nc3c(-c4scc5c4OCCO5)ccc(-c4scc5c4OCCO5)c3n2)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": ["CN(C)C=O"], "agent": ["Cl[Pd](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1"]}
|
Using CCC(=O)c1cc(Br)cs1, COCOc1cccc(B(O)O)c1 to produce CCC(=O)c1cc(-c2cccc(O)c2)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": ["CO"], "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 Oc1ccc(-c2ccc3c(c2)c2c(n3Cc3ccccc3)CCCC2)cc1, N#CCBr to produce N#CCOc1ccc(-c2ccc3c(c2)c2c(n3Cc3ccccc3)CCCC2)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+]"]}
|
Using CC(=O)SC(CC(=O)c1ccccc1)C(=O)N1CSC[C@H]1C(=O)OCc1c(C)cc(C)cc1C to produce CC(=O)SC(CC(=O)c1ccccc1)C(=O)N1CSC[C@H]1C(=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"], "agent": ["Br"]}
|
Using CC(C)(C)OC(=O)N=C(N)NC(=O)OC(C)(C)C to produce N=C(N)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", "ClCCl"], "agent": ["Cl"]}
|
Using CS(=O)(=O)OCCC1CC1, Cc1ccc(O)cc1[N+](=O)[O-] to produce Cc1ccc(OCCC2CC2)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": ["O=C([O-])[O-]", "[K+]"]}
|
Using O=Cc1cccc([N+](=O)[O-])c1, CCOP(=O)(Cc1ccccc1)OCC to produce O=[N+]([O-])c1cccc(/C=C/c2ccccc2)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": ["[Na+]", "Cl", "[H-]"]}
|
Using O=Cc1cc(O)c(O)c(Br)c1, BrCBr to produce O=Cc1cc(Br)c2c(c1)OCO2, 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": ["[F-]", "[K+]"]}
|
Using CCC(=O)N(c1ccccc1)[C@H]1CCNC[C@H]1OC, BrCCc1ccccc1 to produce CCC(=O)N(c1ccccc1)[C@H]1CCN(C(C)c2ccccc2)C[C@H]1OC, 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-]", "[K+]"]}
|
Using O=S(=O)(c1ccccc1)N(F)S(=O)(=O)c1ccccc1, O=C(O)c1cc2ccc(C(F)(F)F)cc2s1 to produce O=C(O)c1sc2cc(C(F)(F)F)ccc2c1F, 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 CCC(C)(C)c1ccc(O)c(Cl)c1, CCCCCCC(Br)C(=O)OCC to produce CCCCCCC(Oc1ccc(C(C)(C)CC)cc1Cl)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", "Cc1ccccc1"], "agent": ["[Na+]", "Cl", "[OH-]"]}
|
Using CCCN(CCC)CCCCN1Cc2cc(CNCc3ncc[nH]3)ccc2C1=O, Cn1ccnc1C=O to produce CCCN(CCC)CCCCN1Cc2cc(CN(Cc3ncc[nH]3)Cc3nccn3C)ccc2C1=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", "CO"], "agent": ["[BH3-]C#N", "[Na+]", "O=C([O-])O"]}
|
Using COC(=O)c1cc(C(C)O)oc1C to produce COC(=O)c1cc(C(C)=O)oc1C, 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 Cc1ccccc1C(=O)CBr, O=C1Nc2cccnc2Nc2ccccc21 to produce Cc1ccccc1C(=O)CN1C(=O)c2ccccc2Nc2ncccc21, 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": ["[Na+]", "[H-]"]}
|
Using CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2cc(C)cc(-c3cccc(C=O)c3)c2)c1, CC1CNCC(C)N1 to produce CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2cc(C)cc(-c3cccc(CN4C[C@@H](C)N[C@@H](C)C4)c3)c2)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", "ClCCl"], "agent": ["[Na+]", "CC(=O)O[BH-](OC(C)=O)OC(C)=O"]}
|
Using CCOC(=O)[C@H]1CCCN(C[C@@H](O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 to produce O=C(O)[C@H]1CCCN(C[C@@H](O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)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": ["CC#N"], "agent": ["Cl"]}
|
Using CC(=O)Nc1ccc(Oc2ccc(-c3cn(C(C)(C)C)c4ncnc(N)c34)cc2)cc1 to produce CC(C)(C)n1cc(-c2ccc(Oc3ccc(N)cc3)cc2)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": ["O"], "agent": ["NN"]}
|
Using COc1ccc(CN)cc1Br, CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)CCC(=O)O to produce CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)CCC(=O)NCc1ccc(OC)c(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": ["ClCCl", "CCN(CC)CC"], "agent": ["F[P-](F)(F)(F)(F)F", "CN(C)C(On1nnc2cccnc21)=[N+](C)C"]}
|
Using C=C(C)c1ccc(C=O)nc1 to produce CC(C)c1ccc(CO)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": ["[H][H]", "[OH-]", "[Pd+2]"]}
|
Using O=C(Cl)C(Cl)Cl, CNOC to produce CON(C)C(=O)C(Cl)Cl, 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+]", "Cl"]}
|
Using CN1CCC(CN2CCNCC2)CC1, O=C(O)CC(c1ccccc1)c1ccccc1 to produce CN1CCC(CN2CCN(C(=O)CC(c3ccccc3)c3ccccc3)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", "ClCCCl"], "agent": ["CN(C)c1ccncc1"]}
|
Using Cc1onc(C(=O)c2ccccc2)c1N, O=C(Br)CBr to produce Cc1onc(C(=O)c2ccccc2)c1NC(=O)CBr, 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", "ClCCl"], "agent": ["O=C([O-])[O-]", "[Na+]", "O=C([O-])O"]}
|
Using COc1ccc(F)c(-c2ccc(CO[Si](C)(C)C(C)(C)C)cc2C(Cl)C(C)(C)C)c1 to produce COc1ccc(F)c(-c2ccc(CO[Si](C)(C)C(C)(C)C)cc2CC(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": ["Cc1ccccc1"], "agent": ["CC(C)(C#N)N=NC(C)(C)C#N", "CCCC[SnH](CCCC)CCCC"]}
|
Using CCOC(=O)/C=C\[C@@H]1C[C@@H](SCc2ccc(OC)cc2)CN1C(=O)OC(C)(C)C to produce COC(=O)CC[C@@H]1C[C@@H](SCc2ccc(OC)cc2)CN1C(=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": ["CO"], "agent": ["[Mg]"]}
|
Using O=C(O)Cn1ccc2ccccc21, [O-][n+]1cc(Cl)c(C[C@H](O)c2ccc(OC(F)F)c(OCC3CC3)c2)c(Cl)c1 to produce O=C(Cn1ccc2ccccc21)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)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", "ClCCCl"], "agent": ["CN(C)c1ccncc1"]}
|
Using NCCCCO, N#Cc1ccc(Cl)c([N+](=O)[O-])c1 to produce N#Cc1ccc(NCCCCO)c([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": ["CC#N"], "agent": ["O=C([O-])[O-]", "[K+]"]}
|
Using COC(=O)c1ccc(-c2ccccc2)cc1NC(=O)c1ccc(OC2CCN(C(C)=O)CC2)cc1O to produce CC(=O)N1CCC(Oc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3C(=O)O)c(O)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": ["C1COCCO1", "CO"], "agent": ["[Na+]", "[OH-]"]}
|
Using Cn1c(CO)nc2ccc(OCc3ccccc3)nc21, O=C1SC(Cc2ccc(O)cc2)C(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 to produce Cn1c(COc2ccc(CC3SC(=O)N(C(c4ccccc4)(c4ccccc4)c4ccccc4)C3=O)cc2)nc2ccc(OCc3ccccc3)nc21, 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": ["CCCCP(CCCC)CCCC", "O=C(N=NC(=O)N1CCCCC1)N1CCCCC1"]}
|
Using CCOC(=O)CCn1cc(Cl)c2cc(-c3noc(-c4ccc(O)c(Cl)c4)n3)ccc21, CC(C)I to produce CCOC(=O)CCn1cc(Cl)c2cc(-c3noc(-c4ccc(OC(C)C)c(Cl)c4)n3)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": ["CCOC(C)=O", "CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]"]}
|
Using N#Cc1ccc(Cl)c([N+](=O)[O-])c1 to produce N#Cc1ccc(Cl)c(N)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": ["Cl[Sn](Cl)(Cl)Cl"]}
|
Using N#CCOc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 to produce N#CCOc1ccc(OCc2ccccc2)c(N)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", "O"], "agent": ["[Na+]", "O=C([O-])O", "Cl[Sn]Cl"]}
|
Using C=C(C)C(N)=O, CCOC(=O)Cl to produce C=C(C)C(=O)NC(=O)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": ["C1COCCO1"], "agent": ["[Na+]", "Cl", "CC[O-]"]}
|
Using COC(=O)c1ccc2c(c1)nc(N)c1ncccc12 to produce Nc1nc2cc(CO)ccc2c2cccnc12, 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=C(Cl)c1ccccc1, COC=C(C(=O)OC)c1ccccc1CBr to produce COC=C(C(=O)OC)c1ccccc1CC(=O)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", "COCCOC"], "agent": ["[Zn]", "Cl[Pd](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1"]}
|
Using II to produce [I-], 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", "Cc1ccccc1"], "agent": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1"]}
|
Using Cc1cc(NCC(=O)[O-])c([N+](=O)[O-])cc1Br to produce Cc1cc2c(cc1Br)NC(=O)CN2, 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+]", "Cl[Sn]Cl"]}
|
Using [NH4+], COc1cc(Cc2c(-c3ccc(N)cc3)sc3cc(OCc4ccccc4)ccc23)ccc1CN1CCCC1 to produce COc1cc(Cc2c(-c3ccc(N)cc3)sc3cc(O)ccc23)ccc1N1CCCC1, 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-]", "[Pd]"]}
|
Using Fc1ccc2c(C3CCNCC3)noc2c1, CC(=O)c1cc(C)ccc1OCCCBr to produce CC(=O)c1cc(C)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)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", "CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]", "Cl"]}
|
Using CCOC(=O)c1cn(O)c2cc(C)cnc12 to produce CCOC(=O)c1c[nH]c2cc(C)cnc12, 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-]", "[Pd+2]"]}
|
Using CC(=O)N1CCC(c2nn(-c3ccccc3)c3cc(Cl)ccc23)CC1 to produce Clc1ccc2c(C3CCNCC3)nn(-c3ccccc3)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"], "agent": ["Cl"]}
|
Using O=C(O)CC1(C[N+](=O)[O-])CCCCC1 to produce NCC1(CC(=O)O)CCCCC1, 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 COS(=O)(=O)OC, c1ccc(COCCCc2nc3cccnc3[nH]2)cc1 to produce Cn1c(CCCOCc2ccccc2)nc2cccnc21, 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 Cc1ccc(CNC(=O)c2cc(Br)cc(N3CCC[C@H]3CO)c2)cn1, Cc1ccc(B(O)O)cc1 to produce Cc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(N3CCC[C@H]3CO)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": ["O", "Cc1ccccc1"], "agent": ["O=C([O-])[O-]", "[Cs+]", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]}
|
Using C=CN1CCCC1=O, CCOC(=O)c1ccccc1Br to produce Brc1ccccc1C1=NCCC1, 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+]", "Cl", "[H-]"]}
|
Using CCCC(=O)N(C)OC, Brc1cnc2ccccc2c1 to produce CCCC(=O)c1cnc2ccccc2c1, 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": ["[Li]CCCC"]}
|
Using COC(=O)c1ccc(OCCON=C(C)c2ccc(C(C)(C)C)cc2)cc1O to produce C/C(=N\OCCOc1ccc(C(=O)O)c(O)c1)c1ccc(C(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": ["CCO"], "agent": ["[Na+]", "[OH-]"]}
|
Using COC(=O)c1cccc(-c2nccs2)n1 to produce OCc1cccc(-c2nccs2)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": ["[Na+]", "[BH4-]"]}
|
Using CCOC(=O)C(C)(C)c1cn2nc(NCCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)ccc2n1 to produce CC(C)(C(=O)O)c1cn2nc(NCCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)ccc2n1, 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 CN1CCNCC1, O=C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 to produce CN1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)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": ["CC(=O)O", "CO"], "agent": ["[BH3-]C#N", "[Na+]"]}
|
Using O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2ccccc2)CC1 to produce NCCCCN1CCN(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": ["CCO"], "agent": ["NN"]}
|
Using NCc1cccc(Br)c1, CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)O)n1 to produce CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2cccc(Br)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", "CCN(CC)CC"], "agent": ["F[P-](F)(F)(F)(F)F", "CN(C)C(On1nnc2ccccc21)=[N+](C)C"]}
|
Using ClCC1CN(Cc2ccccc2)CCO1, [N-]=[N+]=[N-] to produce [N-]=[N+]=NCC1CN(Cc2ccccc2)CCO1, 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+]"]}
|
Using O=S(=O)(O)O, O=[N+]([O-])c1ccc(F)c(F)c1F to produce O=[N+]([O-])c1ccc(F)c(F)c1O, 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": ["[Li+]", "[OH-]"]}
|
Using C=CCCl, CC1(C)NC(=O)NC1=O to produce C=CCN1C(=O)NC(C)(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": ["O=C([O-])[O-]", "[K+]"]}
|
Using COC(=O)/C=C(/C)NC(C)=O, Nc1ccc(-n2cccn2)c(F)c1 to produce Cc1cc(=O)n(-c2ccc(-n3cccn3)c(F)c2)c(C)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": ["C[Al](C)C"]}
|
Using CN(Cc1cc(-c2cccnc2C#N)n(S(=O)(=O)c2cccs2)c1)C(=O)OC(C)(C)C to produce CNCc1cc(-c2cccnc2C#N)n(S(=O)(=O)c2cccs2)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", "CC(C)O"], "agent": ["Cl"]}
|
Using BrCCCCCCOCCCc1ncccc1OCc1ccccc1, NCc1ccccc1 to produce c1ccc(CNCCCCCCOCCCc2ncccc2OCc2ccccc2)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": ["O=C([O-])[O-]", "[Na+]", "Cl"]}
|
Using Nc1ccc([N+](=O)[O-])c(Cl)c1, CS to produce CSc1cc(N)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": ["CN(C)C=O", "O"], "agent": ["O=C([O-])[O-]", "[K+]"]}
|
Using N#Cc1cnc(Cl)s1, COc1cc(N)nc(OC)n1 to produce COc1cc(Nc2ncc(C#N)s2)nc(OC)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": ["C1CCOC1"], "agent": ["[Na+]", "[H-]"]}
|
Using CN1CCNCC1, Cc1nc(-c2cn3c(n2)-c2ccc(OC(C)(C)C(=O)O)cc2OCC3)n(C(C)C)n1 to produce Cc1nc(-c2cn3c(n2)-c2ccc(OC(C)(C)C(=O)N4CCN(C)CC4)cc2OCC3)n(C(C)C)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": ["CN(C)C=O", "CCN(C(C)C)C(C)C"], "agent": ["CCN=C=NCCCN(C)C", "On1nnc2ccccc21"]}
|
Using O=[N+]=O, CCCC(=O)Nc1n[nH]c2cc(Cl)c(Br)cc12 to produce CCCC(=O)Nc1n[nH]c2c([N+](=O)[O-])c(Cl)c(Br)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", "CC#N"], "agent": ["F[B-](F)(F)F", "[Na+]", "O=C([O-])O"]}
|
Using O=C(O)/C=C/c1c[nH]c2ccccc12, NOC1CCCCO1 to produce O=C(C=Cc1c[nH]c2ccccc12)NOC1CCCCO1, 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": ["F[P-](F)(F)(F)(F)F", "c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1"]}
|
Using Cc1cn([C@@H]2O[C@H](COCc3ccc(Cl)cc3Cl)[C@@H](OCc3ccc(Cl)cc3Cl)[C@@]2(C)O)c2ncnc(Cl)c12 to produce Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@]2(C)O)c2ncnc(Cl)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": ["ClCCl"], "agent": ["ClB(Cl)Cl"]}
|
Using COC(=O)C(C)Oc1cccc2[nH]ccc12 to produce CC(Oc1cccc2[nH]ccc12)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": ["C1COCCO1", "CO"], "agent": ["[Na+]", "Cl", "[OH-]"]}
|
Using CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 to produce CC(C)(C)OC(=O)[C@@H]1CCCN1, 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": ["[Pd]", "[H][H]", "O=C=O"]}
|
Using COC(=O)[C@H]1CC[C@H](N)CC1, Cn1cc(C(=O)CC(c2ccc(C(=O)O)c(F)c2)c2ccccc2Cl)ccc1=O to produce COC(=O)[C@H]1CC[C@H](NC(=O)c2ccc(C(CC(=O)c3ccc(=O)n(C)c3)c3ccccc3Cl)cc2F)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[P-](F)(F)(F)(F)F", "Cl", "CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C"]}
|
Using COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(Cl)cnc3NC3CCOCC3)n2)cc1 to produce Cc1nc(N)nc(-c2cc(Cl)cnc2NC2CCOCC2)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=C(O)C(F)(F)F"], "agent": ["O=S(=O)(O)C(F)(F)F"]}
|
Using COc1ccc(Nc2nccnc2-c2cc(S(C)=O)nc(C)n2)cn1, [NH4+] to produce COc1ccc(Nc2nccnc2-c2cc(N)nc(C)n2)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": ["C1COCCO1"], "agent": ["[OH-]"]}
|
Using Cc1ccc(S(=O)(=O)O)cc1, CC(=O)NC[C@H]1CN(c2ccc(N3CCC(O)(CO)CC3)c(F)c2)C(=O)O1 to produce CC(=O)NC[C@H]1CN(c2ccc(N3CCC4(CC3)COCO4)c(F)c2)C(=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": ["c1ccccc1"], "agent": ["C=O"]}
|
Using O=C(O)Cc1ccccc1, CN to produce CNC(=O)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": ["CO"], "agent": ["O=S(=O)(O)O"]}
|
Using COC(=O)c1cc(C)c2c(c1)S(=O)(=O)Cc1cc(N(CCO)CCO)cc(Cl)c1O2 to produce COC(=O)c1cc(C)c2c(c1)S(=O)(=O)Cc1cc(N3CCOCC3)cc(Cl)c1O2, 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", "Cc1ccccc1C"], "agent": ["[Na+]", "O=C([O-])O", "Cc1ccc(S(=O)(=O)O)cc1"]}
|
Using N#Cc1ccn2ncc(-c3ncc4[nH]c(=O)n(C5CCOCC5)c4n3)c2c1, CCN=C=S to produce CCNc1nc2cnc(-c3cnn4ccc(C#N)cc34)nc2n1C1CCOCC1, 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(C(C)C)C(C)C"], "agent": ["CCN=C=NCCCN(C)C", "Cl"]}
|
Using Nc1ccccc1O, CC(C(=O)c1cccc(Cl)c1)N(C)C to produce O=C(CCNc1ccccc1O)c1cccc(Cl)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": ["CCO"], "agent": ["Cl"]}
|
Using OCCCCCCCCC1(CCCCc2ccccc2)OCCO1 to produce O=CCCCCCCCC1(CCCCc2ccccc2)OCCO1, 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": ["[Na+]", "O=C([O-])O", "[O-]Cl"]}
|
Using COc1ccc2c(c1)N(c1ccccc1F)C(=O)C2N, C=CC#N to produce COc1ccc2c(c1)N(c1ccccc1F)C(=O)C2(N)CCC#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": ["O", "CS(C)=O"], "agent": ["O=C([O-])[O-]", "[K+]", "Cl"]}
|
Using O=C(c1c[nH]c2cc(Cl)ccc12)C(F)(F)F, CNC(=O)CCl to produce CNC(=O)Cn1cc(C(=O)C(F)(F)F)c2ccc(Cl)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": ["CN(C)C=O"], "agent": ["[Na+]", "[H-]"]}
|
Using O=C(O)CNC(=O)OCc1ccccc1, COC(CBr)OC to produce COC(CN(CC(=O)O)C(=O)OCc1ccccc1)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": ["CN(C)C=O", "O"], "agent": ["O=C([O-])[O-]", "[Cs+]"]}
|
Using BrC(Br)(Br)Br, Cc1c(C)c2c(c(C)c1NC(=O)OC(C)(C)C)CC(C)(CCO)O2 to produce Cc1c(C)c2c(c(C)c1NC(=O)OC(C)(C)C)CC(C)(CCBr)O2, 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"]}
|
Using Nc1n[nH]cc1Br, CN(C)/C=C(\Cl)C=[N+](C)C to produce Clc1cnc2c(Br)cnn2c1, 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", "CCO"], "agent": ["F[P-](F)(F)(F)(F)F", "N#N"]}
|
Using CCc1cc([C@H]2O[C@@H](n3cnc4c(Cl)nc(Cl)nc43)[C@H](OC(C)=O)[C@@H]2OC(C)=O)on1, N[C@H](CO)Cc1ccccc1 to produce CCc1cc([C@H]2O[C@@H](n3cnc4c(N[C@H](CO)Cc5ccccc5)nc(Cl)nc43)[C@H](OC(C)=O)[C@@H]2OC(C)=O)on1, 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", "CCN(C(C)C)C(C)C"], "agent": ["Cl"]}
|
Using O=C(O)c1ccc(Cl)nc1, CC(O)C(F)(F)F to produce CC(Oc1ccc(C(=O)O)cn1)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": ["CS(C)=O"], "agent": ["[K+]", "Cl", "[OH-]"]}
|
Using O=CNNc1ccc([N+](=O)[O-])cc1O to produce Nc1ccc(NNC=O)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": ["C1COCCO1", "O"], "agent": ["[Cl-]", "[Fe]", "[NH4+]"]}
|
Using C=Cc1cnc(C)c(OCc2ccccc2)c1CCl, NC(N)=S to produce C=Cc1cnc(C)c(OCc2ccccc2)c1CS, 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+]", "Cl", "[OH-]"]}
|
Using CCOC(=O)c1c(-c2ccc(C(=O)N(c3nccc4ccn(C)c34)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)cnn1C to produce Cn1ncc(-c2ccc(C(=O)N(c3nccc4ccn(C)c34)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)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": ["[Na+]", "[OH-]"]}
|
Using CC(C)(N)c1ccccc1, Clc1ccc(Cl)nn1 to produce CC(C)(Nc1ccc(Cl)nn1)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", "CCN(C(C)C)C(C)C"], "agent": ["[Cl-]", "[Na+]"]}
|
Using O=C1NC(=O)c2ccccc21, O=Cc1ccc(CBr)c(Cl)c1 to produce O=Cc1ccc(CN2C(=O)c3ccccc3C2=O)c(Cl)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": ["[K]"]}
|
Using CC(C)(C)OC(=O)N1CCC(OS(C)(=O)=O)CC1, O=[N+]([O-])c1ccc(S)cc1 to produce CC(C)(C)OC(=O)N1CCC(Sc2ccc([N+](=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"], "agent": ["[Na+]", "[H-]"]}
|
Using O=[N+]([O-])c1cccc(C2CCC(c3cccc([N+](=O)[O-])c3)N2c2ccc(F)cc2)c1 to produce Nc1cccc(C2CCC(c3cccc(N)c3)N2c2ccc(F)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": ["CCO", "C1CCOC1"], "agent": ["[Pd]"]}
|
Using c1cc(CNc2nccc(Nc3cc(C4CC4)[nH]n3)n2)c2ncn(C3CCCCO3)c2c1 to produce c1cc(CNc2nccc(Nc3cc(C4CC4)[nH]n3)n2)c2nc[nH]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": ["Cc1ccc(S(=O)(=O)O)cc1"]}
|
Using OCC1CCC(CO)O1, NCc1ccccc1 to produce c1ccc(CN2CC3CCC(C2)O3)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": ["[Na+]", "[OH-]", "Cc1ccc(S(=O)(=O)O)cc1"]}
|
Using O=C(CCl)OC(c1ccccc1)c1ccccc1, Oc1ccncc1 to produce O=C(Cn1ccc(=O)cc1)OC(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": ["CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]"]}
|
Using COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C)on4)c3)c2cc1O[C@H]1CCN(C(=O)OC(C)(C)C)C1 to produce COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C)on4)c3)c2cc1O[C@H]1CCNC1, 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 Brc1cccs1, CO[Si](OC)(OC)OC to produce CO[Si](OC)(c1cccs1)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"], "agent": ["[Mg]", "II"]}
|
Using N#CCCl, c1ccc(C(OC2CCNCC2)c2ccccc2)cc1 to produce N#CCN1CCC(OC(c2ccccc2)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": ["CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]"]}
|
Using O=C1NC(=O)c2ccccc21, CS(=O)(=O)OCCc1ccoc1 to produce O=C1c2ccccc2C(=O)N1CCc1ccoc1, 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": ["[K]"]}
|
Using c1ccc2c(c1)NCCO2, O=C(O)c1cccnc1Oc1cc(Cl)ccc1Cl to produce O=C(c1cccnc1Oc1cc(Cl)ccc1Cl)N1CCOc2ccccc21, 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(CC)CC"], "agent": ["[I-]", "C[n+]1ccccc1Cl"]}
|
Using CCOC(=O)CSc1nc(Cl)cc(Cl)n1, Clc1ccc(N2CCNCC2)cc1 to produce CCOC(=O)CSc1nc(Cl)cc(N2CCN(c3ccc(Cl)cc3)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": ["CCO"], "agent": ["O=C([O-])[O-]", "[Na+]"]}
|
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