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stringlengths 236
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Using COc1ccc(Br)c2[nH]c(=O)cc(CCO)c12 to produce O=c1cc(CCO)c2c(O)ccc(Br)c2[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": ["O"], "agent": ["BrB(Br)Br"]}
|
Using Clc1nc2ccccc2s1, CNC(=O)/C(=N/OC)c1ccccc1Oc1cccc(O)c1 to produce CNC(=O)/C(=N/OC)c1ccccc1Oc1cccc(Oc2nc3ccccc3s2)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": ["[Na+]", "[H-]"]}
|
Using CC(=O)O[BH-](OC(C)=O)OC(C)=O, CC(C)(C)OC(=O)C1CCNN1C(=O)OC(C)(C)C to produce CN1CCC(C(=O)OC(C)(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": ["CC(=O)O", "ClCCCl"], "agent": ["[Na+]", "C=O"]}
|
Using Clc1nc(Cl)nc(Cl)n1, CNOC to produce CON(C)c1nc(Cl)nc(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": ["CCN(C(C)C)C(C)C", "CC(C)=O"], "agent": ["Cl"]}
|
Using O=[N+]([O-])c1cccc(NCCN2CCOCC2)c1 to produce Nc1cccc(NCCN2CCOCC2)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", "CCO"], "agent": ["[Pd]"]}
|
Using O=C1C2CCC=CC2C1(Cl)Cl to produce O=C1CC2C=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": ["CC(=O)O"], "agent": ["[Zn]"]}
|
Using C=O, Oc1ccnc2c(F)cccc12 to produce OCc1cnc2c(F)cccc2c1O, please predict the 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+]", "[OH-]"]}
|
Using Cc1c(Br)ccc(S(C)(=O)=O)c1C=NO, C=O to produce Cc1c(Br)ccc(S(C)(=O)=O)c1C=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", "C1CCOC1"], "agent": ["Cl"]}
|
Using O, C1CCOC1 to produce CC1=CC[C@@H](C(=O)O)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": ["[Li+]", "Cl", "[OH-]"]}
|
Using O=S(=O)(O)O, CCOC(=O)c1cccnc1C(=O)OCC to produce CCOC(=O)c1ccc[n+]([O-])c1C(=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": ["CC(=O)O"], "agent": ["OO"]}
|
Using CC(C)(C)OC(=O)Cc1ccc(-c2cnc3cc(-c4ccncc4)ccn23)cc1F to produce O=C(O)Cc1ccc(-c2cnc3cc(-c4ccncc4)ccn23)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": ["C1COCCO1", "O"], "agent": ["Cl"]}
|
Using NC=O, Clc1ccc2nc(Cl)nc(-c3ccccc3)c2c1 to produce O=CNc1nc(-c2ccccc2)c2cc(Cl)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": ["CN(C)C=O", "O"], "agent": ["[Na+]", "[H-]"]}
|
Using O=CCOCCCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl, CC(C)(C)ON to produce CC(C)(C)ON=CCOCCCCCOc1c(Cl)cc(OCC=C(Cl)Cl)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": ["c1ccncc1"], "agent": ["Cl"]}
|
Using O=[Cr](=O)([O-])Cl, OCc1ccc(Br)c(Cl)c1 to produce OCc1ccc(Br)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": ["c1cc[nH+]cc1"]}
|
Using O=C(CBr)OCc1ccccc1, c1n[nH]c2c1CNCC2 to produce O=C(CN1CCc2[nH]ncc2C1)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": ["CC#N"], "agent": ["O=C([O-])[O-]", "[Cs+]"]}
|
Using Oc1ccc(-c2ccc(-c3cccs3)cn2)cc1, CCCCCCI to produce CCCCCCOc1ccc(-c2ccc(-c3cccs3)cn2)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 OCCC1CC(OC2CCCCO2)C1, Oc1ccc(Br)cc1 to produce Brc1ccc(OCCC2CC(OC3CCCCO3)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": ["CCOC(C)=O", "C1CCOC1"], "agent": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1", "CCOC(=O)/N=N/C(=O)OCC"]}
|
Using NC(N)=S, Cc1cc(C)cc(C(=O)Cc2ccnc(NC(=O)c3ccccc3)c2)c1 to produce Cc1cc(C)cc(-c2nc(N)sc2-c2ccnc(NC(=O)c3ccccc3)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", "CCN(CC)CC"], "agent": ["[Na+]", "BrBr", "O=C([O-])O"]}
|
Using BrCc1ccccc1, O=[N+]([O-])c1cc(F)c(F)cc1O to produce O=[N+]([O-])c1cc(F)c(F)cc1OCc1ccccc1, please predict the 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 Clc1ccnc(Cl)n1, C#CCCO to produce OCCC#Cc1ccnc(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": ["CCN(CC)CC"], "agent": ["[Cu]I", "Cl[Pd](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1"]}
|
Using CCOC(=O)c1onc(OC)c1CBr, CCOC(=O)C(NC(C)=O)C(=O)OCC to produce CCOC(=O)c1onc(OC)c1CC(NC(C)=O)(C(=O)OCC)C(=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": ["CN1CCCC1=O"], "agent": ["CC(C)(C)[O-]", "[K+]"]}
|
Using CC1=C(c2ccc(NC(=O)c3ccncc3C)cc2)C[C@@H]([C@@](C)(O)CO)CC1 to produce CC(=O)[C@@H]1CCC(C)=C(c2ccc(NC(=O)c3ccncc3C)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": ["O", "CC(C)O"], "agent": ["[O-][I+3]([O-])([O-])[O-]", "[Na+]"]}
|
Using O=[N+]([O-])c1ccc(CCN2CCCCCC2)cc1 to produce Nc1ccc(CCN2CCCCCC2)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": ["Cl", "[Pd]"]}
|
Using BrC(Br)(Br)Br, COc1cccc(CO)c1F to produce COc1cccc(CBr)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": ["ClCCl"], "agent": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1"]}
|
Using CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCNC4)n[nH]c2c1, O=S(=O)(Cl)c1ccc(N2CCOCC2)nc1 to produce CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCN(S(=O)(=O)c3ccc(N5CCOCC5)nc3)C4)n[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": ["CN(C)C=O", "CCN(C(C)C)C(C)C"], "agent": ["Br", "[Na+]", "O=C([O-])O"]}
|
Using CC(C)(C)OC(=O)NC12CC3CC(CC(C1)C(I)C3)C2 to produce NC12CC3CC(CC(C1)C(I)C3)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": ["C1COCCO1"], "agent": ["Cl"]}
|
Using CC(C)S(=O)(=O)Nc1nc(-c2[nH]c(-c3c(Cl)cccc3Cl)nc2-c2ccccc2)ccc1[N+](=O)[O-] to produce CC(C)S(=O)(=O)Nc1nc(-c2[nH]c(-c3c(Cl)cccc3Cl)nc2-c2ccccc2)ccc1N, please predict the 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": ["Cl[Sn]Cl"]}
|
Using CC(C)N(C(=O)CC(c1ccccc1)c1cc(Br)ccc1OCc1ccccc1)C(C)C to produce CC(C)N(CCC(c1ccccc1)c1cc(Br)ccc1OCc1ccccc1)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": ["[Al+3]", "[Li+]", "[H-]"]}
|
Using CI, CCCCn1cnnc1S to produce CCCCn1cnnc1SC, please predict the 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 COC(=O)COc1cc(OC)ccc1C(=O)OC to produce COC(=O)c1oc2cc(OC)ccc2c1O, please predict the 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)[O-]", "[K+]"]}
|
Using CCOC(=O)CC(Nc1nc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ncc(F)cc23)ncc1F)C1(C(F)(F)F)CCCC1 to produce O=C(O)CC(Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F)C1(C(F)(F)F)CCCC1, please predict the 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+]", "[OH-]"]}
|
Using CCN(CC)CCCC(=O)OCc1ccccc1 to produce CCN(CC)CCCC(=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": ["[C]", "[Pd]"]}
|
Using CCCCOc1ccc(S(=O)(=O)C2(C(=O)OCC)CCN(Cc3ccc(OC)cc3)CC2)cc1 to produce CCCCOc1ccc(S(=O)(=O)C2(C(=O)O)CCN(Cc3ccc(OC)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": ["CO"], "agent": ["[Na+]", "[OH-]"]}
|
Using CC(C)(C)[Si](C)(C)Cl, Cn1c(=O)c2c(-c3cccc(F)c3)n(CC(O)CO)cc2n(C)c1=O to produce Cn1c(=O)c2c(-c3cccc(F)c3)n(CC(O)CO[Si](C)(C)C(C)(C)C)cc2n(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": ["c1c[nH]cn1", "CN(C)c1ccncc1", "O=C(O)CC(O)(CC(=O)O)C(=O)O"]}
|
Using O=C1[C@H](Cc2c[nH]c3ccccc23)NCCN1CCc1ccccc1 to produce c1ccc(CCN2CCN[C@@H](Cc3c[nH]c4ccccc34)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", "C1CCOC1"], "agent": ["[Na+]", "[OH-]"]}
|
Using O=S(=O)(c1cccc2cnccc12)N1CCNCC1, O=C(Cl)c1ccccc1 to produce O=C(c1ccccc1)N1CCN(S(=O)(=O)c2cccc3cnccc23)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": ["ClC(Cl)Cl"], "agent": ["O=C([O-])[O-]", "[K+]"]}
|
Using F[B-](F)(F)F, CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(Br)sc2c1O to produce CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)c(F)c2nc(Br)sc2c1O, please predict the 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": ["F[N+]12CC[N+](CCl)(CC1)CC2"]}
|
Using NC1CC1, BrCCC(c1ccccc1)c1ccccc1 to produce c1ccc(C(CCNC2CC2)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": ["CCOC(C)=O", "CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[Cs+]"]}
|
Using CC(C)c1nn(-c2ccc(C#N)c([N+](=O)[O-])c2)c2nccc(Cl)c12, C1CCOC1 to produce CC(C)c1nn(-c2ccc(C(N)=O)c(N)c2)c2nccc(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": ["O", "CO"], "agent": ["[Fe]", "[Cl-]", "[NH4+]"]}
|
Using O=C(O)C(Cc1c[nH]cn1)c1ccc(Cl)c(Cl)c1, c1nc(N2CCNCC2)c2cc[nH]c2n1 to produce O=C(C(Cc1c[nH]cn1)c1ccc(Cl)c(Cl)c1)N1CCN(c2ncnc3[nH]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": ["CCOCC"], "agent": ["Cl"]}
|
Using CC1(N)CC1, O=CCN(CC=O)C(=O)OCc1ccccc1 to produce CC1(N2CCN(C(=O)OCc3ccccc3)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(Cl)Cl"], "agent": ["CC(=O)O[BH-](OC(C)=O)OC(C)=O", "[Na+]", "O=C([O-])O"]}
|
Using CC(C(N)=O)c1cccc2c1Oc1ccccc1CC2=O, [OH-] to produce CC(C(=O)O)c1cccc2c1Oc1ccccc1CC2=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", "CCO"], "agent": ["[Na+]", "[K+]"]}
|
Using [Zn+]Cc1ccccc1, Cn1c(=O)n(C(=O)N2CCCC2)c2cnc(Cl)nc21 to produce Cn1c(=O)n(C(=O)N2CCCC2)c2cnc(Cc3ccccc3)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": ["C1CCOC1"], "agent": ["[Br-]", "CC(C)(C)[P]([Pd][P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C"]}
|
Using NO, CC(=O)c1c(O)cc(C)cc1O to produce CC(=NO)c1c(O)cc(C)cc1O, please predict the 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 Sc1nc2ccc(OCc3ccccc3)cc2[nH]1, CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCO)CC1 to produce CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCSc2nc3ccc(OCc4ccccc4)cc3[nH]2)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": ["CCOC(C)=O", "CN(C)C=O"], "agent": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1", "Cl", "CCOC(=O)N=NC(=O)OCC"]}
|
Using CI, Cc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1C#N to produce Cc1cc(C(=O)N(C)c2ccc(C(F)(F)F)cc2)ccc1C#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": ["[Na+]", "[H-]"]}
|
Using CCOC(=O)C1CCN(CC(O)CN2c3ccccc3CCc3ccccc32)CC1, CCCBr to produce CCCOC(CN1CCC(C(=O)OCC)CC1)CN1c2ccccc2CCc2ccccc21, please predict the 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#CCON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3CC=C)CS[C@H]12)c1csc(NC=O)n1 to produce C#CCON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3CC=C)CS[C@H]12)c1csc(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": ["CO"], "agent": ["Cl"]}
|
Using CC(C)S(=O)(=O)NC1Cc2ccc(-c3cccc(C#N)c3)cc2C1 to produce CC(C)S(=O)(=O)NC1Cc2ccc(-c3cccc(CN)c3)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": ["C1CCOC1"], "agent": ["[Al+3]", "[Li+]", "[H-]"]}
|
Using CC(C)(C)[Si](C)(C)Oc1ccc(C2(CNc3ccccn3)CCOCC2)cc1 to produce Oc1ccc(C2(CNc3ccccn3)CCOCC2)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 Oc1ccccc1C1CCCC1, [Br-] to produce Oc1ccc(Br)cc1C1CCCC1, please predict the 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": ["CCCC[N+](CCCC)(CCCC)CCCC"]}
|
Using N#Cc1ccc(CCc2coc3cccc(O)c23)cc1, C[Si](C)(C)N[Si](C)(C)C to produce N=C(N)c1ccc(CCc2coc3cccc(O)c23)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"], "agent": ["[Li]CCCC", "Cl"]}
|
Using CCC1CCC[N+]2=C1c1[nH]c3ccccc3c1CC2 to produce CCC1(C(C)C#N)CCCN2CCc3c([nH]c4ccccc34)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": ["O", "ClCCl"], "agent": ["[O-][Cl+3]([O-])([O-])[O-]", "[Na+]", "[OH-]"]}
|
Using CCOC(=O)C[C@@](NC(=O)OCc1ccccc1)(C(=O)O)C(=O)OCC, N to produce CCOC(=O)C[C@@](NC(=O)OCc1ccccc1)(C(N)=O)C(=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": ["CCN(CC)CC", "C1CCOC1"], "agent": ["CC(C)COC(=O)Cl", "Cl"]}
|
Using O=[N+]([O-])c1c[nH]c(Cl)n1, CC(=O)OCCCC1(C)CO1 to produce CC(=O)OCCCC(C)(O)Cn1cc([N+](=O)[O-])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": ["[Na+]", "CC(=O)[O-]"]}
|
Using CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CC[C@@H]2C[C@H]1C(=O)N2C(=O)OC(C)(C)C to produce CC(C)(C)OC(=O)N1C(=O)[C@@H]2C[C@H]1CC[C@@H]2N1CC[C@H](NC(=O)OCc2ccccc2)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", "CI"], "agent": ["O=C([O-])[O-]", "[Cs+]"]}
|
Using CI, Nc1c(O)cccc1[N+](=O)[O-] to produce COc1cccc([N+](=O)[O-])c1N, please predict the 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(OCc1ccccc1)N1C2CCC1(C(=O)Cl)CC2, NC(=O)c1sc(Br)cc1N to produce O=C(OCc1ccccc1)N1C2CCC1(c1nc3cc(Br)sc3c(=O)[nH]1)CC2, please predict the 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", "CCN(C(C)C)C(C)C"], "agent": ["[Na+]", "O=C([O-])O"]}
|
Using O=C1CCC(=O)N1Br, COP(=O)(Cc1cc2cc(Cl)ccc2nc1C)OC to produce COP(=O)(Cc1cc2cc(Cl)ccc2nc1CBr)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": ["ClC(Cl)(Cl)Cl"], "agent": ["O=C(OOC(=O)c1ccccc1)c1ccccc1"]}
|
Using O=Cc1ccc(O)cc1, COCOC to produce COCOc1ccc(C=O)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": ["Cc1ccc(S(=O)(=O)O)cc1"]}
|
Using CN(C)C=O, Clc1cncc(Cl)c1-c1nc2c([nH]1)-c1ccncc1Nc1ncccc1-2 to produce N#Cc1cncc(Cl)c1-c1nc2c([nH]1)-c1ccncc1Nc1ncccc1-2, please predict the 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": ["[C-]#N", "[Zn+2]"]}
|
Using CC(C)COC(=O)CCC1NC(=O)CN1Cc1ccccc1 to produce CC(C)COC(=O)CCC1NCC(=O)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", "CO"], "agent": ["[H][H]", "Cl", "[Pd]"]}
|
Using O=C1CC=C[C@H]2CCC[C@@H](c3ccc(Cl)cc3)N12 to produce O=C1CCC[C@H]2CCC[C@@H](c3ccc(Cl)cc3)N12, please predict the 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]", "O=[Pt]"]}
|
Using CP(=O)(CC(CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1, CCCC[PH](=O)O to produce CCCCP(=O)(O)CC(CCC(=O)OCc1ccccc1)C(=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": ["ClCCl", "CCN(CC)CC"], "agent": ["C[Si](C)(C)Cl"]}
|
Using Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ccc1[N+](=O)[O-] to produce Nc1ccc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N, please predict the 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": ["[Pd]"]}
|
Using Oc1ccccc1, COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(Cl)c2c1 to produce COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(Oc3ccccc3)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": ["CN(C)C=O"], "agent": ["[Na+]", "[H-]"]}
|
Using COc1ccc2c(c1)CCC(C(=O)O)=C2 to produce COc1ccc2c(c1)CCC(C(=O)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": ["CO"], "agent": ["[C]", "[Pd]"]}
|
Using CC(C)(C)OC(=O)N1CCC(F)(C#Cc2ccc(F)cc2)CC1 to produce CC(C)(C)OC(=O)N1CCC(F)(CCc2ccc(F)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": ["[Pd]"]}
|
Using CCC1=C[C@H]2[C@@H](C1)C[C@]2(CC(=O)O)CN(C)C(=O)OC(C)(C)C to produce CCC1=C[C@H]2[C@@H](C1)C[C@@]2(CNC)CC(=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": ["Cl"]}
|
Using CN1CCNCC1, Cc1cc2c(s1)Nc1ccccc1N=C2N to produce Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(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": ["CC#N", "O"], "agent": ["Cl"]}
|
Using N#Cc1ccc2c(c1)CCCC2CN1CCNCC1=O, O=CCc1ccc2c(c1)COC2=O to produce N#Cc1ccc2c(c1)CCCC2CN1CCN(CCc2ccc3c(c2)COC3=O)CC1=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", "O=C([O-])[O-]", "[Na+]"]}
|
Using CS(=O)(=O)CCCO, COc1cc2c(=O)n(COC(=O)C(C)(C)C)cnc2cc1O to produce COc1cc2c(=O)n(COC(=O)C(C)(C)C)cnc2cc1OCCCS(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": ["ClCCl"], "agent": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1", "CCOC(=O)N=NC(=O)OCC"]}
|
Using N#Cc1cc([N+](=O)[O-])ccc1Cl, Sc1ccc(Cl)cc1 to produce N#Cc1cc([N+](=O)[O-])ccc1Sc1ccc(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", "CS(C)=O"], "agent": ["[Na+]", "[OH-]"]}
|
Using CC(C)(C)OC(=O)NCC1CCNCC1, O=[N+]([O-])c1cc(Br)cnc1Cl to produce CC(C)(C)OC(=O)NCC1CCN(c2ncc(Br)cc2[N+](=O)[O-])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", "CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]"]}
|
Using CCOCC, CCCC1Cc2c(c(C)c(C)c3oc(C(=O)O)cc23)C1=O to produce CCCC1Cc2c(c(C)c(C)c3oc(C(=O)OCC)cc23)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", "CCO"], "agent": ["FB(F)F"]}
|
Using CC(C)(C)c1cc(CO)cc(C(C)(C)C)c1O to produce CC(C)(C)c1cc(C=O)cc(C(C)(C)C)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": ["CC(=O)O", "O"], "agent": ["[NH4+]", "CC(=O)[O-]", "C=O"]}
|
Using Cn1cc(I)c2c(N)ncnc21, OB(O)c1cc2ccccc2s1 to produce Cn1cc(-c2cc3ccccc3s2)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": ["CN(C)C=O"], "agent": ["[K+]", "O=P([O-])([O-])[O-]", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]}
|
Using CN(C)CCNC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)N(CCO)CCc1ccccc1 to produce CN(C)CCNC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)N(CCO)CCc1ccccc1, please predict the 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": ["[C]", "[Pd]"]}
|
Using O=C(Cl)c1ccc(Br)cc1, NCCCCCOc1ccc(-n2ccnc2)cc1 to produce O=C(NCCCCCOc1ccc(-n2ccnc2)cc1)c1ccc(Br)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+]", "[OH-]"]}
|
Using N#Cc1ccc(O)cc1, [N-]=[N+]=[N-] to produce Oc1ccc(-c2nnn[nH]2)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": ["CN1CCCC1=O", "CCN(CC)CC"], "agent": ["[Na+]", "Cl"]}
|
Using CCOC(=O)C(C)(C)Cc1c(SC(C)(C)C)c2cc(OC)ccc2n1Cc1ccc(Cl)cc1 to produce CCOC(=O)C(C)(C)Cc1c(SC(C)(C)C)c2cc(O)ccc2n1Cc1ccc(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": ["ClCCl"], "agent": ["[Al+3]", "[Cl-]", "Cl"]}
|
Using COCC(C(=O)OC)c1cc(Cl)cc(Cl)c1, C=C(Oc1cc(Cl)cc(Cl)c1)C(=O)O to produce COCC(Oc1cc(Cl)cc(Cl)c1)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"], "agent": ["O=S(=O)(O)O", "[Na+]", "[OH-]"]}
|
Using Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C(O)(O)C(F)(F)F)s2)c1 to produce Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C(O)C(F)(F)F)s2)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", "CO"], "agent": ["[Na+]", "O=C([O-])O", "[BH4-]"]}
|
Using C#CCOc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2Cc1cccc(O)c1, BrCCOC1CCCCO1 to produce C#CCOc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2Cc1cccc(OCCOC2CCCCO2)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(CC(C)(C)O)Oc1cc(F)ccc1N, COC(=O)c1sc2ncnc(Cl)c2c1C to produce COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)CC(C)(C)O)c2c1C, please predict the 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": ["Cc1ccc(S(=O)(=O)O)cc1"]}
|
Using Fc1cccc(CBr)c1F, CCOC(=O)CC(C)=O to produce CCOC(=O)C(Cc1cccc(F)c1F)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": ["C1CCOC1"], "agent": ["[Na]"]}
|
Using N#CC1CCN(c2cc(N)c(N)cc2Cl)C1, CC(C)(C)C(=O)NCc1ccc(Cl)c(N=C=S)c1 to produce CC(C)(C)C(=O)NCc1ccc(Cl)c(Nc2nc3cc(Cl)c(N4CCC(C#N)C4)cc3[nH]2)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": ["CC(C)N=C=NC(C)C"]}
|
Using CCOP(=O)(CC#N)OCC, COc1cccc(C(=O)c2cc(OC)cc(OC)c2)c1 to produce COc1cccc(C(=CC#N)c2cc(OC)cc(OC)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": ["C1CCOC1"], "agent": ["C[Si](C)(C)[N-][Si](C)(C)C", "[Li+]"]}
|
Using C=C1CC(C(=O)CC(=O)C(=O)OCC)C1, CC(C)NN to produce C=C1CC(c2cc(C(=O)OCC)nn2C(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": ["CCO"], "agent": ["Cl"]}
|
Using CC[Si](Cl)(CC)CC, CCOC(=O)[C@@H]1CC(c2ccc(C)cn2)=C(C)[C@H]1O to produce CCOC(=O)[C@@H]1CC(c2ccc(C)cn2)=C(C)[C@H]1O[Si](CC)(CC)CC, please predict the 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": ["c1c[nH]cn1"]}
|
Using O=C(O)CCC(=O)c1ccc(-c2ccc(F)cc2)cc1 to produce O=C(O)CCCc1ccc(-c2ccc(F)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", "Cc1ccccc1"], "agent": ["[Zn]", "Cl"]}
|
Using CC(C)(C)OC(=O)N1CC(=O)C1, CNC1CC1 to produce CN(C1CC1)C1CN(C(=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": ["CCOC(C)=O", "ClCCl"], "agent": ["[Na+]", "Cl", "CC(=O)O[BH-](OC(C)=O)OC(C)=O"]}
|
Using CCOC(=O)c1ccc(Cl)c([N+](=O)[O-])c1, Cc1cc(O)no1 to produce CCOC(=O)c1ccc(-n2oc(C)cc2=O)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": ["O", "CS(C)=O"], "agent": ["O=C([O-])[O-]", "[K+]"]}
|
Using Cc1cnc2c(c1)CCCC2, C[Si](C)(C)Cl to produce Cc1cnc2c(c1)CCCC2[Si](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": ["CCCCCC", "C1CCOC1"], "agent": ["[Li]CCCC"]}
|
Using O=c1[nH]c(=S)[nH]cc1Cc1cccs1, CI to produce CSc1ncc(Cc2cccs2)c(=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": ["O", "CCO"], "agent": ["[Na+]", "[OH-]"]}
|
Using OCCc1ccc(Oc2ccc(C(F)(F)F)nc2)cc1, N#CN to produce N=C(N)OCCc1ccc(Oc2ccc(C(F)(F)F)nc2)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": ["O=S(=O)(O)C(F)(F)F"]}
|
Using CCCCC(CC)Cc1ccc(-c2ccsc2Br)cc1, Ic1ccccc1 to produce CCCCC(CC)Cc1ccc(-c2cc(I)sc2Br)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"], "agent": ["[Na+]", "II", "O=S([O-])([O-])=S"]}
|
Using CCOP(C)(=O)c1ccc([C@H](N[S@](=O)C(C)(C)C)c2ccc(F)cc2)cc1 to produce CCOP(C)(=O)c1ccc([C@H](N)c2ccc(F)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": ["C1COCCO1"], "agent": ["Cl"]}
|
Using CCC(N)=O, Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)sc1C=O to produce CCC(=O)NCc1sc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)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": ["O=C(O)C(F)(F)F", "Cc1ccccc1"], "agent": ["CC[SiH](CC)CC"]}
|
Using COc1ccc2c(c1)S(=O)(=O)NCN2C1CC1 to produce O=S1(=O)NCN(C2CC2)c2ccc(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", "ClC(Cl)Cl"], "agent": ["BrB(Br)Br"]}
|
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