smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH2:11][C@H:10]([C:14]([OH:16])=O)[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].ClC(N(C)C)=C(C)C.[NH2:25][C:26]1[CH:31]=[C:30]([C:32]2[N:37]=[C:36]([NH:38][CH2:39][CH:40]3[CH2:45][CH2:44][O:43][CH2:42][CH2:41]3)[CH:35]=[N:34][CH:33]=2)[C:29]([Cl:46])=[CH:28][N:27]=1.N1C=CC=CC=1>C(Cl)... | 2 |
NC=1N(C([C@]2(C[C@](CC3=CC=C(C=C23)Br)(C)CO[Si](C)(C)C(C)(C)C)N1)=O)C>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>NC=1N(C([C@]2(C[C@@](CC3=CC=C(C=C23)Br)(C)CO)N1)=O)C | 3 |
[F:1][C:2]1[CH:29]=[CH:28][C:5]([CH2:6][NH:7][C:8]([C:10]2[C:11](=[O:27])[C:12]3[C:13]4[N:14]([CH:26]=2)[CH2:15][C:16](=[O:25])[N:17]([CH3:24])[C:18]=4[CH:19]=[C:20]([CH2:22]Cl)[CH:21]=3)=[O:9])=[CH:4][CH:3]=1.[O:30]1[C:34]2[CH:35]=[CH:36][CH:37]=[CH:38][C:33]=2[CH:32]=[C:31]1[CH:39]([OH:43])[CH2:40][NH:41][CH3:42].CCN... | 2 |
COC(=O)C=1C=C(C=CC1)Br.NC1=NC=C(C=C1)C1=CC=CC=C1>O1CCOCC1.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd].C(=O)([O-])[O-].[Cs+].[Cs+].P(c2ccccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C3CCCCC3)C4CCCCC4>C1(=CC=CC=C1)C=1C=CC(=NC1)NC=1C=C(C(=O)OC)C=CC1 | 3 |
C(C)(C)(C)OC(=O)[C@@]1(CN(C(C1CO)=O)[C@H](C)C1=CC=CC=C1)CO>C1(=CC=CC=C1)C.C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OCC)C(=O)OCC>C(C)(C)(C)OC(=O)[C@@]12C(C(N(C1)[C@H](C)C1=CC=CC=C1)=O)COC2 | 3 |
NC1=NNC(=C1C=1SC2=C(N1)C=CC(=C2)C(=O)O)C>>COC(=O)C1=CC2=C(N=C(S2)C=2C(=NNC2C)N)C=C1 | 5 |
[C:1](Cl)(=[O:9])[CH2:2][CH2:3][CH2:4][CH2:5][C:6](Cl)=[O:7].[CH:11]1([N:19]=[C:20]=[O:21])[CH2:18][CH2:17][CH2:16][CH2:15][CH2:14][CH2:13][CH2:12]1.N1C=CC=CC=1>C1(C)C(C)=CC=CC=1>[CH:11]1([N:19]2[C:1](=[O:9])[C:2]3[CH2:3][CH2:4][CH2:5][C:6]=3[O:7][C:20]2=[O:21])[CH2:18][CH2:17][CH2:16][CH2:15][CH2:14][CH2:13][CH2:12]1 | 1 |
[OH-].[K+].[OH:3][CH2:4][C:5]1[O:6][C:7]([CH3:13])=[CH:8][C:9](=[O:12])[C:10]=1[OH:11].I[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][C:20]([O:22][CH2:23][CH3:24])=[O:21]>C(O)C.O>[OH:3][CH2:4][C:5]1[O:6][C:7]([CH3:13])=[CH:8][C:9](=[O:12])[C:10]=1[O:11][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][C:20]([O:22][CH2:23][CH3:24])=[... | 1 |
COC=1C(C(C1OC)=O)=O.NC=1C=C(C=CC1Cl)S(=O)(=O)N1[C@H](CCC1)C(=O)OC>>COC1=C(C(C1=O)=O)NC=1C=C(C=CC1)S(=O)(=O)N1[C@H](CCC1)C(=O)OC | 5 |
[CH3:1][N:2]([CH3:30])[CH2:3][CH2:4][NH:5][C:6]([C:8]1[C:9]([C:21]2[CH:26]=[CH:25][CH:24]=[C:23]([N+:27]([O-:29])=[O:28])[CH:22]=2)=[N:10][C:11]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)=[N:12][C:13]=1[CH3:14])=[O:7].[C:31]([OH:38])(=[O:37])/[CH:32]=[CH:33]/[C:34]([OH:36])=[O:35]>C(O)C>[C:31]([OH:38])(=[O:37])/[C... | 1 |
[NH2:1][C:2]1[S:3][C:4]([C:10]2[CH:15]=[CH:14][C:13]([C:16]([C:19]#[N:20])([CH3:18])[CH3:17])=[CH:12][CH:11]=2)=[CH:5][C:6]=1[C:7]([NH2:9])=[O:8].Cl[C:22]1[CH:27]=[CH:26][N:25]=[C:24]([O:28][CH2:29][CH2:30][Si:31]([CH3:34])([CH3:33])[CH3:32])[N:23]=1>>[C:19]([C:16]([C:13]1[CH:14]=[CH:15][C:10]([C:4]2[S:3][C:2]([NH:1][C... | 1 |
[CH2:1]([C:3]1[C:4](=[O:30])[N:5]([C:9]([NH:11][CH2:12][CH:13]2[C:22]3[C:17](=[CH:18][C:19]([O:27][CH2:28][CH3:29])=[C:20]([S:23](=[O:26])(=[O:25])[NH2:24])[CH:21]=3)[O:16][CH2:15][CH2:14]2)=[O:10])[CH2:6][C:7]=1[CH3:8])[CH3:2].[CH2:31]([N:33]=[C:34]=[S:35])[CH3:32]>>[CH2:1]([C:3]1[C:4](=[O:30])[N:5]([C:9]([NH:11][CH2:... | 1 |
BrC1=NN(C2=C1CN(CC2)C(C)=O)C2CCOCC2.CN1N=CC(=C1)C=1C=C2CCCNC2=CN1>>CN1N=CC(=C1)C=1C=C2CCCN(C2=CN1)C1=NN(C2=C1CN(CC2)C(C)=O)C2CCOCC2 | 5 |
C(C1=CC=CC=C1)[C@@H](CO)CC=C>ClCCl.CCN(CC)CC.CS(=O)(=O)Cl>C(C1=CC=CC=C1)[C@@H](CC(C(=O)OC)C(=O)OC)CC=C | 3 |
CN.ClC=1C(=NC=CC1)N1N=C(C=C1C1=NC2=C(C3=CC=C(N=C3C=C2C(O1)=O)C(F)(F)F)C)C(F)(F)F>C1CCCO1>CNC(=O)C1=C(C(=C2C=CC(=NC2=C1)C(F)(F)F)C)NC(=O)C=1N(N=C(C1)C(F)(F)F)C1=NC=CC=C1Cl | 3 |
[CH:1]1([C:4](Cl)=[O:5])[CH2:3][CH2:2]1.FC(F)(F)C(O)=O.[Br:14][C:15]1[CH:16]=[C:17]([N:21]2[C:29]3[CH2:28][CH2:27][NH:26][CH2:25][C:24]=3[C:23]([C:30]([O:32][CH2:33][CH3:34])=[O:31])=[N:22]2)[CH:18]=[CH:19][CH:20]=1.C(N(CC)CC)C>C1COCC1>[Br:14][C:15]1[CH:16]=[C:17]([N:21]2[C:29]3[CH2:28][CH2:27][N:26]([C:4]([CH:1]4[CH2:... | 2 |
[NH2:1][C:2]1[CH:3]=[C:4]([C:9]2[C:18]([N:19]3[CH2:23][CH2:22][CH2:21][C@@H:20]3[CH3:24])=[N:17][C:16]3[C:11](=[CH:12][CH:13]=[C:14]([C:25]([O:27][CH3:28])=[O:26])[CH:15]=3)[N:10]=2)[CH:5]=[CH:6][C:7]=1[NH2:8].[N:29]([O-])=O.[Na+]>Cl.O>[NH:8]1[C:7]2[CH:6]=[CH:5][C:4]([C:9]3[C:18]([N:19]4[CH2:23][CH2:22][CH2:21][C@@H:20... | 1 |
COC1=CC=C(C=O)C=C1.NC1=C(C(=NN1)NC=1C=NC=CC1)C(=O)N>>COC1=CC=C(C=NC2=C(C(=NN2)NC=2C=NC=CC2)C(=O)N)C=C1 | 5 |
C(C)SC=1C=CC(=NC1)C#N>ClCCl.ClC=1C=C(C(=O)OO)C=CC1>C(C)S(=O)(=O)C=1C=CC(=NC1)C#N | 3 |
OC=1C2=C(C=NC1C(=O)OCC)C(=NO2)C2=CC=C(C=C2)OC>>OC=1C2=C(C=NC1C(=O)NCC(=O)O)C(=NO2)C2=CC=C(C=C2)OC | 5 |
CNC(=O)C=1NC(=CC1[N+](=O)[O-])C(C)(C)C>[HH].C(C)(=O)OCC.[Pd]>CNC(=O)C=1NC(=CC1N)C(C)(C)C | 3 |
CS(=O)(=O)Cl.NC1=CC=C(C=C1)C1=C(C(C(O1)(C)C)=O)C1=CC=C(C=C1)OCC1=NC2=CC=CC=C2C=C1>>CC1(C(C(=C(O1)C1=CC=C(C=C1)N(S(=O)(=O)C)S(=O)(=O)C)C1=CC=C(C=C1)OCC1=NC2=CC=CC=C2C=C1)=O)C | 5 |
[CH2:1]([C:3]1[CH:8]=[CH:7][C:6]([S:9]([O-:12])(=[O:11])=[O:10])=[CH:5][CH:4]=1)[CH3:2].[NH2:13][C@H:14]([C:19]([OH:21])=[O:20])[C:15]([CH3:18])([CH3:17])[CH3:16]>>[NH2:13][C@H:14]([C:19]([OH:21])=[O:20])[C:15]([CH3:18])([CH3:17])[CH3:16].[CH2:1]([C:3]1[CH:4]=[CH:5][C:6]([S:9]([O-:12])(=[O:10])=[O:11])=[CH:7][CH:8]=1)[... | 2 |
CS(C)=O.C(Cl)(=O)C(Cl)=O.[Cl:11][C:12]1[C:13]([CH:20]([C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=2[O:28][CH:29]([F:31])[F:30])[OH:21])=[N:14][C:15]([S:18][CH3:19])=[N:16][CH:17]=1.C(N(CC)CC)C>ClCCl.O>[Cl:11][C:12]1[C:13]([C:20]([C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=2[O:28][CH:29]([F:30])[F:31])=[O:21])=[N:14][C:... | 1 |
F[C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=1[C:9]1[N:14]=[CH:13][N:12]=[C:11]([NH:15][C:16]2[CH:21]=[CH:20][CH:19]=[C:18]([CH2:22][S:23]([CH3:26])(=[O:25])=[O:24])[CH:17]=2)[N:10]=1.[CH:27]1([CH2:30][CH2:31][OH:32])[CH2:29][CH2:28]1>>[CH:27]1([CH2:30][CH2:31][O:32][C:2]2[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=2[C:9]2[N... | 1 |
C1(CCCC1)C[C@@H](C(=O)O)CN(OCC1=CC=CC=C1)C=O.ClC1=NC(=C(C(=N1)Cl)F)NN>N(C)(C)C=O.CN1CCOCC1.CCN=C=NCCCN(C)C.ON1N=NC2=C1N=CC=C2>C1(CCCC1)C[C@H](CN(C=O)OCC1=CC=CC=C1)C(=O)NNC1=NC(=NC(=C1F)Cl)Cl | 3 |
SC=1NC2=C(N1)C=CC(=C2)OC.ClCC1=NC=CC(=C1C)OCCO>CCO[H].[OH-].[Na+]>OCCOC1=C(C(=NC=C1)CSC1=NC2=C(N1)C=CC(=C2)OC)C | 3 |
C(N(CC)CC)C.[C:8](Cl)(=[O:15])[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1.Cl.Cl.[NH2:19][C:20]1[CH:52]=[CH:51][C:23]([O:24][C:25]2[CH:26]=[CH:27][C:28]3[N:32]=[C:31]([CH2:33][O:34][C:35]4[CH:48]=[CH:47][C:38]([CH2:39][CH:40]5[S:44][C:43](=[O:45])[NH:42][C:41]5=[O:46])=[CH:37][CH:36]=4)[N:30]([CH3:49])[C:29]=3[CH:50]=... | 1 |
[CH3:1][O:2][NH:3][C:4](=[O:11])[C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1.C(=O)([O-])[O-].[K+].[K+].Cl[CH2:19][O:20][CH2:21][C:22]#[CH:23].O>C(#N)C>[CH3:1][O:2][N:3]([CH2:19][O:20][CH2:21][C:22]#[CH:23])[C:4](=[O:11])[C:5]1[CH:6]=[CH:7][CH:8]=[CH:9][CH:10]=1 | 1 |
[CH:1]1([CH2:10][C:11]([N:13]2[CH2:20][CH2:19][CH2:18][C@H:14]2[C:15]([OH:17])=O)=[O:12])[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[CH2:3][CH2:2]1.[NH:21]1[CH2:25][CH2:24][CH2:23][CH2:22]1.C1(CC(C2SCN[C@@H]2C(O)=O)=O)C2C(=CC=CC=2)CC1.S1CCNC1>>[CH:1]1([CH2:10][C:11]([N:13]2[CH2:20][CH2:19][CH2:18][C@H:14]2[C:15]([N:21]2[... | 1 |
[CH2:1]([C:8]1[C:13](=O)[N:12]2[CH:15]=[CH:16][NH:17][C:11]2=[C:10]([C:18]#[N:19])[C:9]=1[CH3:20])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.P(Cl)(Cl)([Cl:23])=O>>[CH2:1]([C:8]1[C:9]([CH3:20])=[C:10]([C:18]#[N:19])[C:11]2[N:12]([CH:15]=[CH:16][N:17]=2)[C:13]=1[Cl:23])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 2 |
[CH2:1]([O:3][C:4](=[O:14])[CH2:5][C:6]1[C:7](Cl)=[N:8][C:9]([Cl:12])=[N:10][CH:11]=1)[CH3:2].O>C(O)C.[Zn]>[CH2:1]([O:3][C:4](=[O:14])[CH2:5][C:6]1[CH:11]=[N:10][C:9]([Cl:12])=[N:8][CH:7]=1)[CH3:2] | 1 |
C(C)C=1C=C2CC(NC2=CC1)=O.C(=O)(O)CCC=1C(=C(NC1)C=O)C>>C(C)C=1C=C2C(C(NC2=CC1)=O)=CC1=C(C(=CN1)CCC(=O)O)C | 5 |
OC=1C=NN(C1C1=CC=2N(C=C1)N=C(C2)NC(=O)C2CC2)C.OC[C@@H]1N(C[C@@H]1C)C(=O)OC(C)(C)C>N(C)(C)C=O.ClCCl.[H-].[Na+].C1(=CC=C(C=C1)S(=O)(=O)Cl)C>CN1N=CC(=C1C1=CC=2N(C=C1)N=C(C2)NC(=O)C2CC2)OC[C@@H]2NC[C@@H]2C | 3 |
[O:1]=[C:2]([CH3:21])[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][N:8]1[C:17](=[O:18])[C:16]2[N:15]([CH3:19])[CH:14]=[N:13][C:12]=2[N:11]([CH3:20])[C:9]1=[O:10].[BH4-].[Na+]>>[OH:1][CH:2]([CH3:21])[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][N:8]1[C:17](=[O:18])[C:16]2[N:15]([CH3:19])[CH:14]=[N:13][C:12]=2[N:11]([CH3:20])[C:9]1=[O:10] | 1 |
N1=C2C(=CC=C1O)CCC2>O.P(Br)(Br)Br>BrC1=CC=C2C(=N1)CCC2 | 3 |
C1COCCN1.C(C)(C)(C)OC(=O)N1CCC(CC1)OC1=C(C=C(C=C1)NC=1C2=C(N=CN1)C=NC(=C2)F)C>CCN(CC)CC.CS(=O)C>CC=1C=C(C=CC1OC1CCNCC1)NC=1C2=C(N=CN1)C=NC(=C2)N2CCOCC2 | 3 |
Cl.O1CC(CC1)CN.CN1N=C(C=C1C(=O)O)CCCCC>C(Cl)(Cl)(Cl)[H].CCN(CC)CC.Cl.C(C)N=C=NCCCN(C)C.OC1=CC=CC=2NN=NC21>O1CC(CC1)CNC(=O)C1=CC(=NN1C)CCCCC | 3 |
C1(CC1)C(=O)Cl.FC1=CC2=C(N(C(=N2)COC2=CC=CC=C2)CC2=CC=C(C=C2)OC(F)(F)F)C=C1N1CCNCC1>>C1(CC1)C(=O)N1CCN(CC1)C1=CC2=C(N=C(N2CC2=CC=C(C=C2)OC(F)(F)F)COC2=CC=CC=C2)C=C1F | 5 |
C1(CC1)N1C=NC=C1>>BrC1=CN=CN1C1CC1 | 5 |
ClC[C@H]1OC(OC1)(C)C.ClC1=C(C(N(C=2N=CNC(C21)=O)C)=O)C>N(C)(C)C=O.ClCCl.[I-].[K+].C(=O)([O-])[O-].[Cs+].[Cs+]>ClC1=C(C(N(C=2N=CN(C(C21)=O)C[C@H]2OC(OC2)(C)C)C)=O)C | 3 |
[H-].[Al+3].[Li+].[H-].[H-].[H-].[C:7](OC)(=[O:21])[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]/[CH:14]=[CH:15]\[CH2:16][CH2:17][CH2:18][CH2:19][CH3:20].O.[OH-].[Na+]>C(OCC)C>[CH2:7]([OH:21])[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]/[CH:14]=[CH:15]\[CH2:16][CH2:17][CH2:18][CH2:19][CH3:20] | 1 |
Br[C:2]1[C:3]2[C:8]([C:9]3[CH:10]=[CH:11][CH:12]=[CH:13][C:14]=3[CH:15]=1)=[CH:7][CH:6]=[CH:5][CH:4]=2.[Li][CH2:17][CH2:18][CH2:19][CH3:20].[Br:21][C:22]1[CH:23]=[C:24]2[C:42](=[CH:43][CH:44]=1)[C:27]1=[CH:28][C:29]3[C:30](=[O:41])[C:31]4[CH:32]=[CH:33][CH:34]=[CH:35][C:36]=4[C:37](=[O:40])[C:38]=3[CH:39]=[C:26]1[C:25]... | 1 |
ClC=1C=C(CBr)C=CC1.FC([C@@H](C)O)(F)F>N(C)(C)C=O.O.[H-].[Na+]>ClC1=CC(=CC=C1)CO[C@@H](C(F)(F)F)C | 3 |
NC1=CC=C(C=C1)C1=CC=CC=C1.C1=CC=C(C=C1)OC(=NC#N)OC2=CC=CC=C2>CC#N>C1(=CC=C(C=C1)N/C(/OC1=CC=CC=C1)=N/C#N)C1=CC=CC=C1 | 3 |
ClCC(C)=O.COC1=C(C=CC=C1)S>C([O-])([O-])=O.[K+].[K+].CC(=O)C>COC1=CC=CC=2C(=CSC21)C | 3 |
CN(CCCN)C.C(CCCCCCCCCCCCC)(=O)O>C1CCCO1.C(=O)(C=1NC=CN1)C=1NC=CN1>CN(CCCNC(CCCCCCCCCCCCCC)=O)C | 3 |
[N+:1]([C:4]1[CH:11]=[CH:10][C:7]([CH2:8]O)=[CH:6][CH:5]=1)([O-:3])=[O:2].[F:12]C(F)(F)C(C(F)(F)F)OS(F)(F)F>C(Cl)Cl>[N+:1]([C:4]1[CH:11]=[CH:10][C:7]([CH2:8][F:12])=[CH:6][CH:5]=1)([O-:3])=[O:2] | 1 |
COC(C1=CC(=CC(=C1)C(F)(F)F)OC)=O>>COC=1C=C(C=C(C1)C(F)(F)F)CO | 5 |
[CH:1]12[CH2:10][CH:5]3[CH2:6][CH:7]([CH2:9][CH:3]([CH2:4]3)[CH:2]1[OH:11])[CH2:8]2.[Cl:12][C:13](Cl)([O:15]C(=O)OC(Cl)(Cl)Cl)Cl.N1C=CC=CC=1>C(Cl)Cl>[Cl:12][C:13]([O:11][CH:2]1[CH:3]2[CH2:9][CH:7]3[CH2:6][CH:5]([CH2:10][CH:1]1[CH2:8]3)[CH2:4]2)=[O:15] | 1 |
COCCl.OC1=C2C(C(=C(OC2=CC(=C1)O)C1=CC(=C(C=C1)OC)OC)OC)=O>>OC1=C2C(C(=C(OC2=CC(=C1)OCOC)C1=CC(=C(C=C1)OC)OC)OC)=O | 5 |
Cl.[C:2]([O:5][CH2:6][CH2:7][N:8]([CH2:20][C:21]1[CH:26]=[CH:25][C:24]([CH2:27][NH2:28])=[CH:23][CH:22]=1)[CH2:9][CH2:10][CH2:11][CH2:12][N:13]([CH2:17][CH2:18][CH3:19])[CH2:14][CH2:15][CH3:16])(=[O:4])[CH3:3].[OH-].[Na+]>O>[C:2]([O:5][CH2:6][CH2:7][N:8]([CH2:20][C:21]1[CH:26]=[CH:25][C:24]([CH2:27][NH2:28])=[CH:23][CH... | 1 |
[NH2:1][N:2]1[C:11]2[C:6](=[N:7][CH:8]=[CH:9][CH:10]=2)[CH:5]=[CH:4][C:3]1=[NH2+:12].CC1C=C(C)C=C(C)C=1S([O-])(=O)=O.[Cl:26][CH:27]([Cl:32])[C:28](OC)=O.C(=O)([O-])[O-].[K+].[K+]>CCO>[Cl:26][CH:27]([Cl:32])[C:28]1[N:12]=[C:3]2[CH:4]=[CH:5][C:6]3[C:11]([N:2]2[N:1]=1)=[CH:10][CH:9]=[CH:8][N:7]=3 | 1 |
O=C1[C@]2(C=3C(=NC=CC3)N1)CC1=C(C=C3C=C(C=NC3=C1)C=O)C2>>OCC=1C=NC2=CC3=C(C=C2C1)C[C@]1(C(NC2=NC=CC=C21)=O)C3 | 5 |
CC=1C=CC(NC1C)=O>>ClC1=CC=C(C(=N1)C)C | 5 |
BrC(C(=O)Cl)(F)F.C(C)C(C(C)(F)F)OC1=CC=C(C=N1)C=1N=CC(=NC1)NN>>BrC(C(=O)NNC1=NC=C(N=C1)C=1C=NC(=CC1)OC(C(C)(F)F)CC)(F)F | 3 |
C(C)(C)(C)OC(NS(=O)(=O)C1(CC1)COCCOC)=O>>COCCOCC1(CC1)S(=O)(=O)N | 5 |
FC(F)(F)S(O[C:7]1[CH:8]=[CH:9][CH:10]=[C:11]2[C:16]=1[CH:15]=[C:14]([C:17]([O:19][CH3:20])=[O:18])[CH:13]=[CH:12]2)(=O)=O.[N:23]1[CH:28]=[CH:27][C:26](OB(O)O)=[CH:25][CH:24]=1.C(=O)([O-])[O-].[Na+].[Na+].C(O)C>O.[Pd].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=C... | 2 |
FC(OC=1C=C(C=CC1)C=1N=CNC1)(F)F.C(C)OCCCNC(C(CC(C)C)NC1=NC(=NC(=C1)Cl)Cl)=O>>C(C)OCCCNC(C(CC(C)C)NC1=NC(=NC(=C1)Cl)N1C=NC(=C1)C1=CC(=CC=C1)OC(F)(F)F)=O | 5 |
C[O:2][C:3]1[CH:12]=[C:11]([CH3:13])[C:10]2[NH:9][C:8](=[O:14])[C:7]3[S:15][CH:16]=[CH:17][C:6]=3[C:5]=2[C:4]=1[C:18]1[CH:23]=[CH:22][C:21]([CH:24]([CH3:30])[CH2:25][S:26]([NH2:29])(=[O:28])=[O:27])=[CH:20][CH:19]=1.BrB(Br)Br>>[OH:2][C:3]1[CH:12]=[C:11]([CH3:13])[C:10]2[NH:9][C:8](=[O:14])[C:7]3[S:15][CH:16]=[CH:17][C:... | 1 |
C1(C=2C(C(N1)=O)=CC=CC2)=O.[N+](=O)([O-])C=1C(=NC(=NC1)NCC1=C(C=CC=C1)OC(F)(F)F)NC[C@@H]1CC[C@H](CC1)N1CC(C1)O>>[N+](=O)([O-])C=1C(=NC(=NC1)NCC1=C(C=CC=C1)OC(F)(F)F)NCC1CCC(CC1)N1CC(C1)N1C(C2=CC=CC=C2C1=O)=O | 5 |
CI.N([C@H](CC1=CC=C(C=C1)C#N)C(=O)O)C(=O)OC(C)(C)C>N(C)(C)C=O.[HH].C(O)([O-])=O.[Na+]>C(C)(C)(C)OC(=O)N[C@H](CC1=CC=C(C=C1)C#N)C(=O)OC | 3 |
COC1=CC=C(C=C1)C1=NC2=C(N1)C=C(C=C2)NC(=O)C2=CC=C(C(=O)OC)C=C2>CCO[H].NN>N(N)C(=O)C1=CC=C(C(=O)NC=2C=CC3=C(NC(=N3)C3=CC=C(C=C3)OC)C2)C=C1 | 3 |
[Br:1][C:2]1[CH:9]=[CH:8][CH:7]=[CH:6][C:3]=1[CH:4]=[O:5].[Cl:10][C:11]1[CH:16]=[CH:15][C:14]([Mg]Br)=[CH:13][CH:12]=1.[Cl-].[NH4+]>C1COCC1>[Br:1][C:2]1[CH:9]=[CH:8][CH:7]=[CH:6][C:3]=1[CH:4]([C:14]1[CH:15]=[CH:16][C:11]([Cl:10])=[CH:12][CH:13]=1)[OH:5] | 1 |
C(#N)C[C@@H]1N(CCN(C1)C=1C2=C(N=C(N1)SC)OC1(CC2)CCCC2=CC=CC=C21)C(=O)OCC2=CC=CC=C2>ClCCl.ClC=1C=C(C(=O)OO)C=CC1>C(#N)C[C@@H]1N(CCC(C1)C=1C2=C(N=C(N1)S(=O)(=O)C)OC1(CC2)CCCC2=CC=CC=C21)C(=O)OCC2=CC=CC=C2 | 3 |
I[C:2]1[CH:12]=[CH:11][C:5]([C:6]([O:8][CH2:9][CH3:10])=[O:7])=[CH:4][CH:3]=1.[CH3:13][C:14]1([CH3:21])[CH2:17][CH:16]([C:18](Cl)=[O:19])[CH2:15]1>O1CCCC1.Cl.[Cu]I>[CH2:9]([O:8][C:6](=[O:7])[C:5]1[CH:11]=[CH:12][C:2]([C:18]([CH:16]2[CH2:17][C:14]([CH3:21])([CH3:13])[CH2:15]2)=[O:19])=[CH:3][CH:4]=1)[CH3:10] | 1 |
[N+](=O)([O-])C.IC1=C(C=CC=C1)S(=O)(=O)[O-].[Na+].C(CCCCCC=C)O>S(=O)(=O)(O[O-])[O-].[K+].[K+]>C(CCCCCC=C)=O | 3 |
[F:1][C:2]([F:20])([F:19])[C:3]1[N:7]([C:8]2[CH:13]=[CH:12][C:11]([Cl:14])=[CH:10][C:9]=2[Cl:15])[N:6]=[CH:5][C:4]=1[C:16]([NH2:18])=O.S(Cl)(Cl)=O.CN(C=O)C>C1(C)C=CC=CC=1>[F:20][C:2]([F:1])([F:19])[C:3]1[N:7]([C:8]2[CH:13]=[CH:12][C:11]([Cl:14])=[CH:10][C:9]=2[Cl:15])[N:6]=[CH:5][C:4]=1[C:16]#[N:18] | 1 |
FC(F)(F)SC=1C=CC2=C(N=CO2)C1>>FC(S(=O)C=1C=CC2=C(N=CO2)C1)(F)F | 5 |
C(C1=CC=CC=C1)OC=1C=C(CNC(CCC(=O)NCC2=CC(=C(C=C2)OCC2=CC=CC=C2)OCC2=CC=CC=C2)=O)C=CC1OCC1=CC=CC=C1>C1CCCO1.[HH].[Pd]>OC=1C=C(CNC(CCC(=O)NCC2=CC(=C(C=C2)O)O)=O)C=CC1O | 3 |
SC=1N(C=CN1)C.BrCC1=[N+](C2=CC=CC=C2[N+](=C1CO)[O-])[O-]>C(Cl)(Cl)(Cl)[H]>CN1C(=NC=C1)SCC=1C(=[N+](C2=CC=CC=C2[N+]1[O-])[O-])CO | 3 |
[Cl:1][C:2]1[N:3]=[C:4](Cl)[C:5]2[N:10]=[N:9][N:8]([CH2:11][C:12]3[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=3[Cl:18])[C:6]=2[N:7]=1.CCN(C(C)C)C(C)C.Cl.[F:30][C:31]1([F:36])[CH2:35][CH2:34][NH:33][CH2:32]1>C(Cl)Cl>[Cl:1][C:2]1[N:3]=[C:4]([N:33]2[CH2:34][CH2:35][C:31]([F:36])([F:30])[CH2:32]2)[C:5]2[N:10]=[N:9][N:8]([CH2:11][... | 2 |
[CH3:1][C:2]1([CH:15]([CH3:17])[CH3:16])[CH2:10][C:9]2[C:4](=[C:5]([Cl:13])[C:6]([Cl:12])=[C:7]([OH:11])[CH:8]=2)[C:3]1=[O:14].C(=O)([O-])[O-].[K+].[K+].Br[CH2:25][C:26]([O:28]CC)=[O:27].[OH-].[Na+]>CN(C=O)C.O>[O:14]=[C:3]1[C:4]2[C:9](=[CH:8][C:7]([O:11][CH2:25][C:26]([OH:28])=[O:27])=[C:6]([Cl:12])[C:5]=2[Cl:13])[CH2:... | 1 |
C(=O)C1=NC=CC=C1.BrC=1C=CC=2N(C3=CC=CC=C3SC2C1)C1CCNCC1>>BrC=1C=CC=2N(C3=CC=CC=C3SC2C1)C1CCN(CC1)CC1=NC=CC=C1 | 5 |
N1=CC(=CC=C1)B(O)O.BrC1=NNC(=C1)CO[Si](C)(C)C(C)(C)C>>[Si](C)(C)(C(C)(C)C)OCC1=CC(=NN1)C=1C=NC=CC1 | 5 |
ClC=1C=C(N)C=CC1.C(CCC1=CC=CC=C1)(=O)Cl>C1(=CC=NC=C1)N(C)C.ClCCl.c1ccncc1>ClC=1C=C(C=CC1)NC(CCC1=CC=CC=C1)=O | 3 |
NC=1C=NC=CC1.FC1=CC=C(C=C1)C=1C(OC(C1C1=CC2=C(OCC(N2)=O)C=C1)=O)=O>>FC1=CC=C(C=C1)C=1C(N(C(C1C1=CC2=C(OCC(N2)=O)C=C1)=O)C=1C=NC=CC1)=O | 5 |
CN1N=C(C=CC1=O)C1=C(N=C(S1)C(=O)OCC)C1=CC=CC=C1>C1CCCO1.C(C)(C)N>C(C)(C)NC(=O)C=1SC(=C(N1)C1=CC=CC=C1)C1=NN(C(C=C1)=O)C | 3 |
[CH2:1]([NH:8][S:9]([C:12]1[CH:13]=[C:14]([CH:18]=[CH:19][C:20]([OH:22])=O)[CH:15]=[CH:16][CH:17]=1)(=[O:11])=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[Cl:23]CCl>CN(C)C=O>[CH2:1]([NH:8][S:9]([C:12]1[CH:13]=[C:14]([CH:18]=[CH:19][C:20]([Cl:23])=[O:22])[CH:15]=[CH:16][CH:17]=1)(=[O:11])=[O:10])[C:2]1[CH:7]=[CH:6][... | 1 |
C(C1=CC=CC=C1)N1C(C=2C(C=C1)=C(N(N2)C2=C(C=CC=C2)Cl)C2=CC=C(C=C2)Cl)=O>>ClC1=NC=CC=2C1=NN(C2C2=CC=C(C=C2)Cl)C2=C(C=CC=C2)Cl | 5 |
CN1CCNCC1.BrC(C)C1=CC=2C(C3=CC=CC=C3C(C2C=C1)=O)=O>>CN1CCN(CC1)C(C)C1=CC=2C(C3=CC=CC=C3C(C2C=C1)=O)=O | 5 |
ClC=1C=C(C=C(C1C1=CC2=C(OCC(N2)=O)C=C1)C(F)(F)F)NC(NC#N)SC>>NC1=NC(=NN1)NC1=CC(=C(C(=C1)C(F)(F)F)C=1C=CC2=C(NC(CO2)=O)C1)Cl | 5 |
[Cl-].[Ce+3].[Cl-].[Cl-].[CH2:5]([Mg]Br)[CH3:6].C(OCC)C.[CH2:14]([C@H:16]1[C:20](=[O:21])[CH2:19][CH2:18][N:17]1[C:22]([O:24][CH2:25][C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=1)=[O:23])[CH3:15]>>[CH2:14]([C@H:16]1[C@@:20]([CH2:5][CH3:6])([OH:21])[CH2:19][CH2:18][N:17]1[C:22]([O:24][CH2:25][C:26]1[CH:31]=[CH:30][CH:2... | 1 |
C1=CC=CC=2C3=CC=CC=C3C(C12)OC(N(CC(NC1=CC=C2[C@H](C(=C(OC2=C1N)N)C#N)C1=CC(=C(C(=C1)OC)OC)Br)=O)C)=O>CO[H].ClCCl.[OH-].[Na+]>NCC(=O)NC1=CC=C2[C@H](C(=C(OC2=C1N)N)C#N)C1=CC(=C(C(=C1)OC)OC)Br | 3 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([OH:11])=[C:6]([C:8](=[O:10])[CH3:9])[CH:7]=1.COC(=O)[O-].[Mg+2].COC(=O)[O-].Br[CH2:24][C:25]#[N:26]>Cl>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([OH:11])=[C:6]([C:8](=[O:10])[CH2:9][CH2:24][C:25]#[N:26])[CH:7]=1 | 1 |
NC1N(C(OC(C)(C)C)=O)N=C(C2C=CC(OCC3[CH:25]=[CH:24][C:23]([C:26]4[S:30][C:29]([N:31]5[CH2:40][CH2:39][C:38]6[C:33](=[C:34]([C:41](=[O:60])[N:42]([C:51]7[S:52][C:53]8[CH:59]=[CH:58][CH:57]=[CH:56][C:54]=8[N:55]=7)COCC[Si](C)(C)C)[CH:35]=[CH:36][CH:37]=6)[CH2:32]5)=[N:28][C:27]=4[C:61]([O:63]CC)=[O:62])=CC=3)=CC=2)C=1C#N.... | 1 |
C[O:2][C:3](=[O:36])[C@H:4]([CH2:16][C:17]1[CH:22]=[CH:21][C:20]([C:23]2[C:24](=[O:35])[N:25]([CH2:33][CH3:34])[C:26](=[O:32])[N:27]([CH2:30][CH3:31])[C:28]=2[CH3:29])=[CH:19][CH:18]=1)[NH:5][C:6]([C:8]1[C:13]([CH3:14])=[CH:12][CH:11]=[CH:10][C:9]=1[Cl:15])=[O:7].[OH-].[Na+]>C(O)C>[Cl:15][C:9]1[CH:10]=[CH:11][CH:12]=[C... | 1 |
[F:1][C:2]1[CH:3]=[C:4]2[C:11]([C:12]3[N:13]=[N:14][C:15]4[C:20]([CH3:22])([CH3:21])[C:19](=[O:23])[NH:18][C:16]=4[N:17]=3)=[N:10][NH:9][C:5]2=[N:6][C:7]=1[CH3:8].C(=O)([O-])[O-].[Cs+].[Cs+].[F:30][C:31]1[CH:38]=[CH:37][CH:36]=[C:35]([F:39])[C:32]=1[CH2:33]Br>CN(C=O)C.C(OCC)(=O)C>[F:30][C:31]1[CH:38]=[CH:37][CH:36]=[C:... | 2 |
[CH3:1][O:2][C:3]1[CH:16]=[C:15]2[C:6]([O:7][C:8]3[CH:9]=[CH:10][C:11]([C:18]([OH:20])=[O:19])=[CH:12][C:13]=3[C:14]2=[O:17])=[CH:5][CH:4]=1.[CH2:21](O)[CH3:22]>S(=O)(=O)(O)O>[CH3:1][O:2][C:3]1[CH:16]=[C:15]2[C:6]([O:7][C:8]3[CH:9]=[CH:10][C:11]([C:18]([O:20][CH2:21][CH3:22])=[O:19])=[CH:12][C:13]=3[C:14]2=[O:17])=[CH:... | 1 |
CC=1C=CC(=C(C(=O)O)C1)N.O(C1=CC=CC=C1)C1=CC=C(C=C1)N=C=O>>CC=1C=CC2=C(C(OC(=N2)NC2=CC=C(C=C2)OC2=CC=CC=C2)=O)C1 | 5 |
[C:1]([C:3]1[CH:10]=[CH:9][C:6]([CH2:7]Br)=[CH:5][CH:4]=1)#[N:2].[H-].[Na+].CN.[H][H].[CH2:17](Br)[C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1.CN(C=[O:29])C>C1(C)C=CC=CC=1>[C:1]([C:3]1[CH:10]=[CH:9][C:6]([CH2:7][C:17]([C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)=[O:29])=[CH:5][CH:4]=1)#[N:2] | 1 |
COC1=NC(=CC=C1C#N)C(F)(F)F>CO[H].[HH].[Pd]>COC1=NC(=CC=C1CN)C(F)(F)F | 3 |
O[C@H]1[C@@H]2[C@H](N([C@H](C1)CC2)[C@H](C)C2=CC=CC=C2)C(=O)OCC>>O[C@H]1[C@@H]2[C@H](N[C@H](C1)CC2)C(=O)OCC | 5 |
ClC1=C(NC(=C1Cl)C)C(=O)O>>ClC=1C=C(NC1C)C(=O)OCC | 5 |
[CH2:1]([O:3][CH2:4][C:5]1[N:6]([CH2:19][CH2:20][CH3:21])[C:7]2[C:16]3[CH:15]=[C:14]([OH:17])[CH:13]=[CH:12][C:11]=3[N:10]=[CH:9][C:8]=2[N:18]=1)[CH3:2].I[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][NH:29][C:30](=[O:36])[O:31][C:32]([CH3:35])([CH3:34])[CH3:33]>>[CH2:1]([O:3][CH2:4][C:5]1[N:6]([CH2:19][CH2:20][CH3:2... | 1 |
C([O:8][C:9]1[C:10](=[O:18])[CH:11]=[C:12]([CH:15]([F:17])[F:16])[NH:13][CH:14]=1)C1C=CC=CC=1>CO.[Pd]>[F:17][CH:15]([F:16])[C:12]1[NH:13][CH:14]=[C:9]([OH:8])[C:10](=[O:18])[CH:11]=1 | 1 |
BrC=1C=CC2=C(NC(C3(CC3)O2)=O)C1>>BrC=1C=CC2=C(NCC3(CC3)O2)C1 | 5 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:13]=[C:12]([CH3:14])[N:11]3[N:15]=[CH:16][C:17](I)=[C:10]3[N:9]=2)=[CH:4][CH:3]=1.[C:19]([C:21]1[CH:26]=[CH:25][C:24]([C:27]([OH:30])([CH3:29])[CH3:28])=[CH:23][CH:22]=1)#[CH:20]>>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:13]=[C:12]([CH3:14])[N:11]3[N:15]=[CH:16][C:17]([C:20]#[C:... | 1 |
ClC1=NC=2N(C(=C1F)N)N=CC2>>ClC1=NC=2N(C=C1F)N=CC2 | 5 |
CI.COCOC1=C(C=CC(=C1)OCOC)OCCC>C1CCCO1.C(CCC)[Li]>COCOC1=C(C(=C(C=C1)OCCC)OCOC)C | 3 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.