smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[CH3:1][C:2]1([CH3:46])[O:7][C:6]2[CH:8]=[CH:9][C:10]([C@H:12]3[O:16]C(=O)[N:14]([CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][O:24][CH2:25][CH2:26][CH2:27][CH2:28][C:29]4[CH:30]=[C:31]([NH:35][C:36]([NH:38][C:39]5[CH:44]=[CH:43][C:42]([F:45])=[CH:41][CH:40]=5)=[O:37])[CH:32]=[CH:33][CH:34]=4)[CH2:13]3)=[CH:11][C:5]... | 2 |
Cl.Cl.N1CC(C1)C=1C(=C(C=C(C1F)Cl)C(C)N1N=C(C=2C1=NC=NC2N)C)OC>CO[H].C=O.CCN(CC)CC.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>ClC=1C(=C(C(=C(C1)C(C)N1N=C(C=2C1=NC=NC2N)C)OC)C2CN(C2)C2COC2)F | 3 |
[NH:1]1[CH2:6][CH2:5][C:4]2([O:11][C:10]3[C:12]4[C:17]([C:18](=[O:21])[C:19](=[O:20])[C:9]=3[S:8][CH2:7]2)=[CH:16][CH:15]=[CH:14][CH:13]=4)[CH2:3][CH2:2]1.Br[CH2:23][C:24]1[CH:29]=[CH:28][C:27]([C:30]2[CH:31]=[N:32][NH:33][CH:34]=2)=[CH:26][CH:25]=1.C(=O)([O-])[O-].[K+].[K+]>C(#N)C>[NH:32]1[CH:31]=[C:30]([C:27]2[CH:28]... | 1 |
[CH:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][C:2]=1[CH2:11][N:12]1[C:21](=[O:22])[C:20]2[CH:23]=[C:24]([N+:26]([O-])=O)[CH:25]=[C:18]3[C:19]=2[C:14](=[CH:15][CH:16]=[CH:17]3)[C:13]1=[O:29]>C1COCC1.CCO.[Pd]>[NH2:26][C:24]1[CH:25]=[C:18]2[CH:17]=[CH:16][CH:15]=[C:14]3[C:19]2=[C:20]([CH:23]=1)[C:21](=[O:... | 2 |
C(O[C:5](=[O:7])C)(=O)C.[CH3:8][NH:9][C:10]1[CH:15]=[C:14]([N+:16]([O-:18])=[O:17])[CH:13]=[C:12]([N+:19]([O-:21])=[O:20])[CH:11]=1>C(O)=O>[N+:16]([C:14]1[CH:15]=[C:10]([CH:11]=[C:12]([N+:19]([O-:21])=[O:20])[CH:13]=1)[N:9]([CH3:8])[CH:5]=[O:7])([O-:18])=[O:17] | 1 |
C(C=C)C=1C(=NC=CC1)[C@@H](NC(=O)NC=1C=NC=CC1)C1=CC=C(C=C1)C(F)(F)F>>C(CC)C=1C(=NC=CC1)[C@@H](NC(=O)NC=1C=NC=CC1)C1=CC=C(C=C1)C(F)(F)F | 5 |
C(C1=CC=CC=C1)N([C@@H]1CC[C@H](CC1)C(C#CCOC)=O)CC1=CC=CC=C1>CCO[H].NN>C(C1=CC=CC=C1)N([C@@H]1CC[C@H](CC1)C1=NNC(=C1)COC)CC1=CC=CC=C1 | 3 |
CN(C(CCC1=CNC=2CCCC(C12)=O)=O)C>>CN(CCCC1=CNC=2CCCCC12)C | 5 |
ClC=1C(=NC=C(C1OC(C)C)C(=O)N1CCC(CC1)C1=CC=C(C=C1)F)S(=O)(=O)N>C1(=CC=CC=C1)C.[Al](Cl)(Cl)Cl>ClC=1C(=NC=C(C1O)C(=O)N1CCC(CC1)C1=CC=C(C=C1)F)S(=O)(=O)N | 3 |
[C:1]([C:5]1[N:9]=[C:8]([C@@H:10]2[C@@H:14]3[O:15]C(C)(C)[O:17][C@H:13]3[C@H:12]([N:20]3[CH:28]=[N:27][C:26]4[C:21]3=[N:22][CH:23]=[N:24][C:25]=4[NH:29][C:30]3[CH:35]=[CH:34][C:33]([F:36])=[CH:32][C:31]=3[F:37])[O:11]2)[O:7][N:6]=1)([CH3:4])([CH3:3])[CH3:2].FC(F)(F)C(O)=O.O>C(=O)(O)[O-].[Na+]>[C:1]([C:5]1[N:9]=[C:8]([C... | 1 |
ClC1=C(C=C(OC2=CC=C(C=C2)CCN)C=C1)C(F)(F)F.CSC=1NC=C(C(N1)=O)CC1=CNC(C=C1)=O>>ClC1=C(C=C(OC2=CC=C(C=C2)CCNC=2NC=C(C(N2)=O)CC2=CNC(C=C2)=O)C=C1)C(F)(F)F | 5 |
OC1=NC=CC(=C1)O>O.BrBr.Br>BrC=1C(NC=C(C1O)Br)=O | 3 |
C(C)OC(=O)C1CCN(CC1)C1=CC=C(C=C1)NC(=O)C=1N=C(OC1C(F)(F)F)C1=CC=CC=C1>CO[H].[OH-].[Na+]>C1(=CC=CC=C1)C=1OC(=C(N1)C(=O)NC1=CC=C(C=C1)N1CCC(CC1)C(=O)O)C(F)(F)F | 3 |
OC1=C(C=NC=C1)C(=O)OC>>BrC=1C(=C(C=NC1)C(=O)OC)O | 5 |
ClCC=1OC(=NN1)C1=CC=CC=C1.ClC=1C=C(C#N)C=C(C1)OC1=C(C=CC=2NN=NC21)Cl>>ClC=1C=C(C#N)C=C(C1)OC1=C(C=CC2=NN(N=C21)CC=2OC(=NN2)C2=CC=CC=C2)Cl | 5 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH2:11][C@@H:10]([OH:14])[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].ClC(Cl)(Cl)[C:17]([N:19]=C=O)=[O:18]>C(OCC)(=O)C>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH2:11][C@@H:10]([O:14][C:17]([NH2:19])=[O:18])[CH2:9]1)=[O:7])([CH3:4])([CH3:2])[CH3:3] | 2 |
[CH2:1]([NH2:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Cl[C:10]1[C:11]2[CH:24]=[C:23]([N+:25]([O-:27])=[O:26])[S:22][C:12]=2[N:13]=[C:14]([C:16]2[CH:21]=[N:20][CH:19]=[CH:18][N:17]=2)[N:15]=1>>[N:17]1[CH:18]=[CH:19][N:20]=[CH:21][C:16]=1[C:14]1[N:15]=[C:10]([NH:8][CH2:1][C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=2)[C:11]... | 1 |
BrC1=CC(=C(C=C1N1N=CC=C1)O)Cl.FC(S(=O)(=O)OC1CC(C1)(F)F)(F)F>N(C)(C)C=O.O.[H-].[Na+]>BrC1=C(C=C(C(=C1)Cl)OC1CC(C1)(F)F)N1N=CC=C1 | 3 |
C(C)(C)I.N1(C=NC2=C1C=CC=C2)C2=CC(=C(S2)C(=O)OC)O>>N1(C=NC2=C1C=CC=C2)C2=CC(=C(S2)C(=O)OC)OC(C)C | 5 |
Cl[C:2]1[N:7]2[N:8]=[CH:9][N:10]=[C:6]2[N:5]=[C:4]([CH3:11])[C:3]=1[CH2:12][CH2:13]Cl.Cl.C(N)(=[NH:18])C.C(=O)([O-])[O-].[Na+].[Na+].ClCCl.CO>C(O)C>[CH3:11][C:4]1[C:3]2[CH2:12][CH2:13][NH:18][C:2]=2[N:7]2[N:8]=[CH:9][N:10]=[C:6]2[N:5]=1 | 2 |
C[Al](C)C.[NH2:5][CH:6]1[CH2:10][O:9][CH2:8][CH2:7]1.C(O[C:14]([C:16]1[N:17]=[N:18][C:19]([O:22][CH2:23][C:24]2[C:25]([C:30]3[CH:35]=[CH:34][CH:33]=[C:32]([F:36])[CH:31]=3)=[N:26][O:27][C:28]=2[CH3:29])=[CH:20][CH:21]=1)=[O:15])C.[C:37](C(C(C([O-])=O)O)O)([O-])=O.[K+].[Na+]>O1CCOCC1>[O:9]1[CH2:8][CH2:7][CH:6]([NH:5][C:... | 1 |
C(C)(C)(C)OC(C1=CC=C(C=C1)NC(=O)C1=CC=C2C=CN(C2=C1)S(=O)(=O)C1=C(C=CC(=C1)C)OC)=O>Cl>COC1=C(C=C(C=C1)C)S(=O)(=O)N1C=CC2=CC=C(C=C12)C(=O)NC1=CC=C(C(=O)O)C=C1 | 3 |
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.CN1N=C(N=C1)N.CC1=NC=CC(=C1)C=1C=CC2=C(N[C@H]3CCN2C3)N1>C1CCCO1.CCN(CC)CC>CN1N=C(N=C1)NC(=O)N1C2=C(N3CC[C@H]1C3)C=CC(=N2)C2=CC(=NC=C2)C | 3 |
[CH3:1][N:2]([C@H](C1C=CC(OC)=CC=1)C)[C@@H:3]1[C:12]2[N:11]=[CH:10][CH:9]=[CH:8][C:7]=2[CH2:6][CH2:5][CH2:4]1>FC(F)(F)C(O)=O.ClCCl>[CH3:1][NH:2][C@@H:3]1[C:12]2[N:11]=[CH:10][CH:9]=[CH:8][C:7]=2[CH2:6][CH2:5][CH2:4]1 | 2 |
COC(=O)C1(N(C(OC1)(C)C)C(=O)OC(C)(C)C)C>O.C1CCCO1.O[Li].O>C(C)(C)(C)OC(=O)N1C(OCC1(C(=O)O)C)(C)C | 3 |
COC=1N=CC=C2C1N(N=C2C2=CC=CC=C2)C2=CC=CC=C2>>C1(=CC=CC=C1)N1N=C(C2=C1C(NC=C2)=O)C2=CC=CC=C2 | 5 |
[Br:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][CH:6]=[CH:5]2.[CH:11]([C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][N:14]=1)=[CH2:12].[OH-].[Na+]>C(O)(=O)C.C(OCC)(=O)C>[Br:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][CH:6]=[C:5]2[CH2:12][CH2:11][C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][N:14]=1 | 1 |
[OH-:1].[Li+].OO.[O-]O.[Li+].C([C@@H]1COC(=O)N1[C:21](=[O:40])[C@@H:22]([C:29]1[CH:34]=[CH:33][C:32]([S:35]([CH3:38])(=[O:37])=[O:36])=[C:31]([Cl:39])[CH:30]=1)[CH2:23][CH:24]1[CH2:28][CH2:27][CH2:26][CH2:25]1)C1C=CC=CC=1>O>[Cl:39][C:31]1[CH:30]=[C:29]([C@@H:22]([CH2:23][CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28]2)[C:21](... | 2 |
ClC=1N=CN(C1)COCC[Si](C)(C)C>>BrC=1N(C=C(N1)Cl)COCC[Si](C)(C)C | 5 |
C(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)Cl.C(C1=CC=CC=C1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO>>C(C1=CC=CC=C1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)COC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 | 5 |
[CH3:1][N:2]([CH:4]=[O:5])[CH3:3].[CH3:6][CH2:7][OH:8].[CH:9]1([N:15]=C=NC2CCCCC2)CCCC[CH2:10]1>C(Cl)Cl>[CH3:1][N:2]([CH3:3])[C:4]([C@@H:9]1[CH2:10][O:8][CH2:7][CH2:6][NH:15]1)=[O:5] | 2 |
[CH3:1][S:2]([C:5]1[CH:6]=[C:7]([C@H:31]2[CH2:35][CH2:34][C@H:33]([C:36]3[CH:41]=[C:40]([O:42][CH3:43])[C:39]([O:44][CH3:45])=[C:38]([O:46][CH3:47])[CH:37]=3)[O:32]2)[CH:8]=[C:9]([O:15][CH2:16][C:17]#[C:18][CH2:19][N:20]2C(=O)C3=CC=CC=C3C2=O)[C:10]=1[O:11][CH2:12][CH2:13][CH3:14])(=[O:4])=[O:3].O.NN>C(O)C>[NH2:20][CH2:... | 1 |
ClC=1C=C2C(NNC(C2=CC1Cl)=O)=O>O.c1ccncc1.P(=O)(Cl)(Cl)Cl>ClC1=NN=C(C2=CC(=C(C=C12)Cl)Cl)Cl | 3 |
[CH2:1]([C@H:4]1[N:7]([C:8](=[C:13]([CH3:15])[CH3:14])[C:9]([O:11][CH3:12])=[O:10])[C:6](=[O:16])[CH:5]1Cl)[CH:2]=[CH2:3].C([SnH](CCCC)CCCC)CCC.N(C(C)(C)C#N)=NC(C)(C)C#N.C(=O)(O)[O-].[Na+]>C1C=CC=CC=1.C(OCC)(=O)C>[CH2:1]([C@H:4]1[N:7]([C:8](=[C:13]([CH3:15])[CH3:14])[C:9]([O:11][CH3:12])=[O:10])[C:6](=[O:16])[CH2:5]1)[... | 1 |
C(OC(=O)[NH:7][C:8]1[CH:13]=[CH:12][C:11]([CH2:14][S:15][C:16]2[NH:17][C:18](=[O:32])[C:19]([C:30]#[N:31])=[C:20]([C:22]3[CH:27]=[CH:26][CH:25]=[C:24]([O:28][CH3:29])[CH:23]=3)[N:21]=2)=[CH:10][CH:9]=1)(C)(C)C.C1(O)C=CC=CC=1.Cl[Si](Cl)(Cl)Cl>ClCCl>[NH2:7][C:8]1[CH:13]=[CH:12][C:11]([CH2:14][S:15][C:16]2[NH:17][C:18](=[... | 2 |
C(C)OCCl.C(#N)C1=NNC=C1>N(C)(C)C=O.[H-].[Na+]>C(C)OCN1N=C(C=C1)C#N | 3 |
ClCOC(C)=O.CC=1C(=CC2=C(N=C3C(NC(N=C3N2CCCCCCC(=O)O)=O)=O)C1)C>N(C)(C)C=O.CCN(CC)CC.[I-].C(CCC)[N+](CCCC)(CCCC)CCCC>CC=1C(=CC2=C(N=C3C(NC(N=C3N2CCCCCCC(=O)OCOC(C)=O)=O)=O)C1)C | 3 |
[CH:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][C:2]=1[S:11]([C:14]1[CH:21]=[CH:20][C:17]([CH:18]=[O:19])=[CH:16][CH:15]=1)(=[O:13])=[O:12].[Mn]([O-])(=O)(=O)=[O:23].[K+].Cl.C(OCC)(=O)C>O.[Br-].C([N+](C)(C)C)CCCCCCCCCCCCCCC>[CH:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][C:2]=1[S:11]([C:14... | 1 |
NC=1C=NC=CC1Cl.C(C)OC(=O)C1(CCC(CC1)O)CCOC>O.O1CCOCC1.[Cl-].C[Al+]C>ClC1=C(C=NC=C1)N1C(C2(CC1)CCC(CC2)O)=O | 3 |
[CH3:1][O:2][C:3]1[CH:15]=[C:14]([O:16][CH3:17])[CH:13]=[CH:12][C:4]=1[CH2:5][NH:6][C:7]1[S:8][CH:9]=[CH:10][N:11]=1.C[Si]([N-][Si](C)(C)C)(C)C.[Li+].[Cl:28][C:29]1[C:38]2[C:33](=[CH:34][C:35]([S:39](OC3C(F)=C(F)C(F)=C(F)C=3F)(=[O:41])=[O:40])=[CH:36][CH:37]=2)[CH:32]=[CH:31][N:30]=1>O1CCCC1>[Cl:28][C:29]1[C:38]2[C:33]... | 1 |
BrC1=CC(=NC=C1)C(=O)O.NC1=CC=C2OC=3C(=CC=CC3CC2=C1)C1=CC(=CC(N1)=O)N1CCOCC1>N(C)(C)C=O.Cl.C(C)(C)N(C(C)C)CC.Cl.C(C)N=C=NCCCN(C)C.OC1=CC=CC=2NN=NC21>BrC1=CC(=NC=C1)C(=O)NC1=CC=2CC3=CC=CC(=C3OC2C=C1)C=1NC(C=C(C1)N1CCOCC1)=O | 3 |
BrC1=CC=NC2=C(C=C(C=C12)OC)CO>>BrC1=CC=NC2=C(C=C(C=C12)OC)CBr | 5 |
O[C@H](C(=O)O)C(C)(C)C.N[C@H]1CC[C@H](CC1)CC(=O)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F>>FC(C=1C=C(C=C(C1)C(F)(F)F)NC(C[C@H]1CC[C@H](CC1)NC([C@H](C(C)(C)C)O)=O)=O)(F)F | 5 |
Cl[CH:2]([C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=1[Cl:15])[C:3](=O)[C:4]([O:6][CH3:7])=[O:5].[C:16]([NH:20][C:21]([NH2:23])=[O:22])([CH3:19])([CH3:18])[CH3:17]>C(Cl)Cl>[CH3:17][C:16]([NH:20][C:21]1[O:22][C:2]([C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=2[Cl:15])=[C:3]([C:4]([O:6][CH3:7])=[O:5])[N:23]=1)([CH3:19])[CH3... | 1 |
C(#N)[Zn]C#N.IC=1C2=C(C(=NC1N[C@H]1[C@H](CCCC1)NC(OC(C)(C)C)=O)NC=1C=C(C=CC1)C)C(NC2)=O>>C(#N)C=1C2=C(C(=NC1N[C@H]1[C@H](CCCC1)NC(OC(C)(C)C)=O)NC=1C=C(C=CC1)C)C(NC2)=O | 5 |
[NH2:1][C:2]1[CH:11]=[CH:10][C:5]([C:6]([O:8]C)=[O:7])=[CH:4][C:3]=1[NH:12][C:13]([C:15]1[C:16](=[O:27])[NH:17][N:18]=[C:19]([C:21]2[CH:26]=[CH:25][N:24]=[CH:23][CH:22]=2)[CH:20]=1)=O.O1CCCC1.[OH-].[Li+].Cl>O.CO>[O:27]=[C:16]1[C:15]([C:13]2[NH:1][C:2]3[CH:11]=[CH:10][C:5]([C:6]([OH:8])=[O:7])=[CH:4][C:3]=3[N:12]=2)=[CH... | 1 |
FCCI.C(C)(C)(C)OC(NC1=NC=C(C=C1)C1=CC=C(C=C1)C=1SC2=C(N1)C=CC(=C2)[N+](=O)[O-])=O>N(C)(C)C=O.O.[H-].[Na+]>C(C)(C)(C)OC(N(C1=NC=C(C=C1)C1=CC=C(C=C1)C=1SC2=C(N1)C=CC(=C2)[N+](=O)[O-])CCF)=O | 3 |
BrCC(F)F.CC1(CC(CC(C1)(C)C)C1=C(C=CC=C1)N1CCNCC1)C>>FC(CN1CCN(CC1)C1=C(C=CC=C1)C1CC(CC(C1)(C)C)(C)C)F | 5 |
C(C)(C)(C)C1=CC=NC=C1>>C(C)(C)(C)C1=CC=[N+](C=C1)[O-] | 5 |
[C:1]([C:4]1[CH:5]=[CH:6][C:7]([Br:10])=[N:8][CH:9]=1)(=[O:3])[CH3:2].[CH3:11][N:12]([CH3:21])[C:13]1[CH:20]=[CH:19][C:16]([CH:17]=O)=[CH:15][CH:14]=1.[OH-].[K+]>C(O)C>[Br:10][C:7]1[N:8]=[CH:9][C:4]([C:1](=[O:3])/[CH:2]=[CH:17]/[C:16]2[CH:19]=[CH:20][C:13]([N:12]([CH3:21])[CH3:11])=[CH:14][CH:15]=2)=[CH:5][CH:6]=1 | 2 |
[S:1]1[CH2:6][CH2:5][C:4](=[O:7])[CH2:3][CH2:2]1.[F:8][C:9]1[CH:14]=[CH:13][C:12]([CH2:15][C:16](Cl)=[O:17])=[CH:11][CH:10]=1>>[F:8][C:9]1[CH:14]=[CH:13][C:12]([CH2:15][C:16]([CH:3]2[C:4](=[O:7])[CH2:5][CH2:6][S:1][CH2:2]2)=[O:17])=[CH:11][CH:10]=1 | 1 |
[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OCC(=O)NNC(C(=O)OCC)=O>C1CCCO1.COC=1C=CC(=CC1)P2(=S)SP(=S)(S2)C=3C=CC(=CC3)OC>[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OCC1=NN=C(S1)C(=O)OCC | 3 |
ClC1=C(OC2(C(NC=CC2)=O)C(=O)OC)C=C(C(=C1)F)N1C(N(C(=CC1=O)C(F)(F)F)C)=O>>ClC1=C(OC2C(NC=CC2)=O)C=C(C(=C1)F)N1C(N(C(=CC1=O)C(F)(F)F)C)=O | 5 |
[CH3:1][O:2][CH:3]([O:6][CH3:7])[CH:4]=O.C(=O)([O-])[O-].[K+].[K+].C(N(CC)CC)C.FC(F)(F)C(OC(=O)C(F)(F)F)=O.[N+:34]([CH3:37])([O-:36])=[O:35]>ClCCl.O.C(OCC)(=O)C>[CH3:1][O:2][CH:3]([O:6][CH3:7])/[CH:4]=[CH:37]/[N+:34]([O-:36])=[O:35] | 2 |
COC1=CC=C(C(C2=CC=CC=C2)(C2=CC=CC=C2)Cl)C=C1.Cl[C@H]1[C@@H](O[C@]([C@H]1OC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=C(C=C1)OC)(CSC)CO)N1C(NC(C=C1)=O)=O>ClCCl.N1=C(C=C(C=C1C)C)C.[N+](=O)([O-])[O-].[Ag+]>NC1=NC(N(C=C1)[C@@H]1O[C@]([C@H]([C@H]1Cl)O)(CSC)CO)=O | 3 |
[Cl:1][C:2]1[CH:24]=[CH:23][C:5]2[C:6]3[C:7](=[CH:20][NH:21][CH:22]=3)[CH:8]([O:18][CH3:19])[N:9]=[C:10]([C:11]3[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=3[Cl:17])[C:4]=2[CH:3]=1.[CH3:25]C(C)([O-])C.[K+].CI>CN(C)C=O.O>[Cl:1][C:2]1[CH:24]=[CH:23][C:5]2[C:6]3[C:7](=[CH:20][N:21]([CH3:25])[CH:22]=3)[CH:8]([O:18][CH3:19])[N:9]=... | 1 |
[Li]CCCC.Br[C:7]1[CH:18]=[CH:17][C:10]([CH2:11][N:12]2[CH2:16][CH2:15][CH2:14][CH2:13]2)=[C:9]([F:19])[CH:8]=1.[O:20]=[C:21]1[CH2:24][CH:23]([C:25]([OH:27])=O)[CH2:22]1.[CH2:28]([NH2:32])[CH:29]([CH3:31])[CH3:30].C(P1(=O)OP(CCC)(=O)OP(CCC)(=O)O1)CC>C1COCC1>[CH2:28]([NH:32][C:25]([CH:23]1[CH2:22][C:21]([C:7]2[CH:18]=[CH... | 1 |
[CH3:1][N:2]1[CH:6]=[C:5]([C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=2)[N:4]=[CH:3]1.C([Li])CCC.CN(C)[CH:20]=[O:21]>C1COCC1.CCOC(C)=O>[CH3:1][N:2]1[CH:6]=[C:5]([C:7]2[CH:8]=[CH:9][CH:10]=[CH:11][CH:12]=2)[N:4]=[C:3]1[CH:20]=[O:21] | 1 |
CI.C(C1=CC=CC=C1)OC(N[C@@H]1CC[C@H](CC1)O[Si](C)(C)C(C)(C)C)=O>>C(C1=CC=CC=C1)OC(N(C)[C@@H]1CC[C@H](CC1)O[Si](C)(C)C(C)(C)C)=O | 5 |
[Cl:1][C:2]1[CH:3]=[C:4]([C:9]23[CH2:14][CH:13]2[C:12](=O)[NH:11][C:10]3=[O:16])[CH:5]=[CH:6][C:7]=1[Cl:8]>C1(C)C=CC=CC=1>[Cl:1][C:2]1[CH:3]=[C:4]([C:9]23[CH2:14][CH:13]2[CH2:12][NH:11][C:10]3=[O:16])[CH:5]=[CH:6][C:7]=1[Cl:8] | 1 |
[CH3:1][C:2]1[S:6][C:5]([CH2:7][CH2:8][NH2:9])=[CH:4][CH:3]=1.[CH:10](=O)[C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1.O.CC(=O)OCC.CCCCCC>C1(C)C=CC=CC=1>[CH3:1][C:2]1[S:6][C:5]2[CH2:7][CH2:8][NH:9][CH:10]([C:11]3[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=3)[C:4]=2[CH:3]=1 | 2 |
C(N(CC)CC)C.[CH:8]([N:21]1[CH2:24][CH:23]([OH:25])[CH2:22]1)([C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1)[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1>CS(C)=O>[CH:8]([N:21]1[CH2:24][C:23](=[O:25])[CH2:22]1)([C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1)[C:9]1[CH:10]=[CH:11][CH:12]=[CH:13][CH:14]=1 | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH2:13][C:12]([CH3:15])([CH3:14])[CH2:11][CH2:10][C:9]=2[CH:16]=[O:17])=[CH:4][CH:3]=1.[CH3:18][Mg]Cl>O1CCCC1>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2[CH2:13][C:12]([CH3:14])([CH3:15])[CH2:11][CH2:10][C:9]=2[CH:16]([OH:17])[CH3:18])=[CH:6][CH:7]=1 | 1 |
C(O)(=O)C.[F:5][C@@H:6]1[C@H:11]([NH:12][C@@H:13]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[CH3:14])[CH2:10][CH2:9][C@@H:8]([C:21]([OH:23])=O)[CH2:7]1.C(=O)(O)[O-].[NH4+].O[N:30]1C2N=CC=CC=2N=N1.Cl.C(N=C=NCCCN(C)C)C>CN(C=O)C>[F:5][C@@H:6]1[C@H:11]([NH:12][C@@H:13]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[C... | 1 |
ClC1=CC=C(S1)S(=O)(=O)NC=1C=CC=C2C=C(NC12)C(=O)NCCSC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1>>ClC1=CC=C(S1)S(=O)(=O)NC=1C=CC=C2C=C(NC12)C=1SCCN1 | 5 |
NCC(CO)O.C(C)(C)(C)C1=NN(C(=C1)NC(=O)NC1=CC(=CC=C1)OC=1C=NC=CC1)C=1C=C2CC(NCC2=CC1)C(=O)OC>>OC(CNC(=O)C1NCC2=CC=C(C=C2C1)N1N=C(C=C1NC(=O)NC1=CC(=CC=C1)OC=1C=NC=CC1)C(C)(C)C)CO | 5 |
[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C@H:8]([O:10][C:11](=[O:26])[NH:12][C:13]1[C:14]([CH3:25])=[N:15][O:16][C:17]=1[C:18]1[CH:23]=[CH:22][C:21](Br)=[CH:20][CH:19]=1)[CH3:9].[CH2:27]([O:29][C:30](=[O:49])[C:31]([CH3:48])([C:33]1[CH:38]=[CH:37][C:36](B2OC(C)(C)C(C)(C)O2)=[CH:35][CH:34]=1)[CH3:32])[CH3:28]>>[CH2:... | 1 |
[CH2:1]([N:8]1[S:13](=[O:15])(=[O:14])[N:12]([CH3:16])[C:11]([C:17]([O:19]C)=O)=[C:10]([OH:21])[CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[NH2:22][C:23]1[CH:27]=[C:26]([CH3:28])[O:25][N:24]=1.C(OC(C)C)(C)C.C(O)=O.C(OC(C)C)(C)C.CC(C)=O>>[CH2:1]([N:8]1[S:13](=[O:14])(=[O:15])[N:12]([CH3:16])[C:11]([C:17]([NH:22][C... | 1 |
C1(COC([NH:11][CH2:12][CH2:13][C:14]2[O:15][C:16]([C:25]3[CH:30]=[CH:29][C:28]([S:31]([NH2:34])(=[O:33])=[O:32])=[CH:27][CH:26]=3)=[C:17]([C:19]3[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=3)[N:18]=2)=O)C=CC=CC=1.C(O)(=O)C>CO.[Pd]>[NH2:11][CH2:12][CH2:13][C:14]1[O:15][C:16]([C:25]2[CH:30]=[CH:29][C:28]([S:31]([NH2:34])(=[O:3... | 1 |
C(C=C)(=O)Cl.NC=1C=C2C=CN(C2=CC1)CC=1C=C(C#N)C=CC1>ClCCl.CCN(CC)CC>C(#N)C=1C=C(CN2C=CC3=CC(=CC=C23)NC(C=C)=O)C=CC1 | 3 |
ClC1=NC(=C2N=CN(C2=N1)C1OCCCC1)Cl>C(CCC)O.O.NN>ClC1=NC(=C2N=CN(C2=N1)C1OCCCC1)NN | 3 |
[O-][N+]1=CC=CC=2C(=CN(C(C12)=O)COCC[Si](C)(C)C)C(=O)OCC>ClCCl.C(C(=O)Cl)(=O)Cl>ClC1=NC=2C(N(C=C(C2C=C1)C(=O)OCC)COCC[Si](C)(C)C)=O | 3 |
[OH:1][CH2:2][CH2:3][NH:4][CH2:5][CH2:6][CH2:7][O:8][C:9]1[CH:16]=[CH:15][C:12]([C:13]#[N:14])=[CH:11][CH:10]=1.Br[CH2:18][CH2:19][CH2:20][S:21][CH2:22][CH2:23][CH3:24].C(=O)([O-])[O-].[K+].[K+]>CC(O)C>[OH:1][CH2:2][CH2:3][N:4]([CH2:18][CH2:19][CH2:20][S:21][CH2:22][CH2:23][CH3:24])[CH2:5][CH2:6][CH2:7][O:8][C:9]1[CH:1... | 1 |
N(C(OC(C)C)=O)=NC(OC(C)C)=O.[Br:15][C:16]1[CH:17]=[C:18]([OH:22])[CH:19]=[CH:20][CH:21]=1.[O:23]1[CH2:27][CH2:26][CH2:25][C@H:24]1[CH2:28]O.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>C1COCC1>[Br:15][C:16]1[CH:17]=[C:18]([CH:19]=[CH:20][CH:21]=1)[O:22][CH2:28][C@@H:24]1[CH2:25][CH2:26][CH2:27][O:23]1 | 2 |
C(C1=CC=CC=C1)OC=1C=C(O[C@@H]2CN(C[C@H]2OC)C(=O)OC(C)(C)C)C=CC1>Cl.C(C)(=O)OCC>Cl.C(C1=CC=CC=C1)OC=1C=C(O[C@@H]2CNC[C@H]2OC)C=CC1 | 3 |
NC=1C=C(C(=C(C1)CN(C(=O)C(C1=CC(=C(C=C1)[C@H](CO)C)C)NC=1C=C2C=CN=C(C2=CC1F)N(C(OC(C)(C)C)=O)C(=O)OC(C)(C)C)C)S(=O)(=O)C1CC1)F>CC#N.ClCCl.CCN(CC)CC.C(=O)(Cl)Cl>C(C)(C)(C)OC(=O)N(C(OC(C)(C)C)=O)C1=NC=CC2=CC(=C(C=C12)F)N[C@@H]1C2=CC(=C([C@H](COC(NC=3C=C(C(=C(CN(C1=O)C)C3)S(=O)(=O)C3CC3)F)=O)C)C=C2)C | 3 |
[Li]C.[Br:3][C:4]1[CH:5]=[C:6]2[C:14](=[CH:15][CH:16]=1)[NH:13][C:12]1C=[CH:10][C:9]([C:17]#[N:18])=[CH:8][C:7]2=1.C1[C:31]2[NH:30][C:29]3[C:24](=[CH:25][CH:26]=[CH:27][CH:28]=3)[C:23]=2[CH:22]=[C:21]([C:32]#[N:33])[CH:20]=1.[CH2:34]([O:38][C:39]1[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=1)[CH:35]1[O:37][CH2:36]1>C1COCC1>[... | 1 |
NC1=C(C=C(C#N)C=C1)I.CC1=CC(=CC=C1)C#CC>N(C)(C)C=O.ClCCl.C([O-])([O-])=O.[K+].[K+].[Cl-].[Li+].C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2]>CC1=C(NC2=CC=C(C=C12)C#N)C=1C=C(C=CC1)C | 3 |
CS(=O)(=O)OCCN1C(CCC1)=O.C(CCC)(=O)NC=1C=C(C=CC1)C1=NC2=CC(=C(C=C2C(=N1)NC=1C=C2C=NN(C2=CC1)C(=O)OC(C)(C)C)O)OC>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+]>N1N=CC2=CC(=CC=C12)NC1=NC(=NC2=CC(=C(C=C12)OCCN1C(CCC1)=O)OC)C=1C=C(C=CC1)NC(CCC)=O | 3 |
C(C1=CC=CC=C1)OC1=C(C(=CC=2CCC(C(C12)=O)O)C)C(=O)OC.C(C1=CC=CC=C1)OC1=C2C(=CC=3C4CCC(C13)O4)C(C2=O)O[Si](C(C)C)(C(C)C)C(C)C>C1(=CC(=CC=C1)C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ru].[Ru].[Ru].CC1=CC(=CC(=C1)P(C2=C(C3=C(C=C2)OCO3)C4=C(C... | 3 |
CC1=NNC=C1.FC1=C(N)C=CC(=C1)I>[Cu]I.C(=O)([O-])[O-].[Cs+].[Cs+].[C@@H]1([C@@H](CCCC1)N)N>FC1=C(C=CC(=C1)N1N=C(C=C1)C)N | 3 |
[CH3:1][C:2]1[C:7]([CH:8]([CH2:13][CH2:14][CH3:15])[C:9]([O:11]C)=[O:10])=[C:6]([C:16]2[CH:21]=[CH:20][C:19]([CH3:22])=[CH:18][CH:17]=2)[N:5]=[C:4]([NH:23][C:24]2[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=2)[N:3]=1.[OH-].[Na+]>CO>[CH3:1][C:2]1[C:7]([CH:8]([CH2:13][CH2:14][CH3:15])[C:9]([OH:11])=[O:10])=[C:6]([C:16]2[CH:17]=... | 1 |
[Cl-].[CH3:2][O:3][CH2:4][P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.[CH:24](/[C@H:29]1[CH2:34][CH2:33][C@H:32]([CH:35]=O)[CH2:31][CH2:30]1)=[CH:25]\[CH2:26][CH2:27][CH3:28]>C(OCC)C>[CH3:2][O:3][CH:4]=[CH:35][C@H:32]1[CH2:31][CH2:30][C@H:29](/[CH:24]=[CH:25]/[CH2:26][CH2:27][CH3:28])[CH2:34][CH2:33]1 | 1 |
CSC1=C(C=NN(C1=O)CC(=O)O)N[C@H]1[C@@H]([C@@H]2C([C@H](C1)C2)(C)C)C>>CSC1=C(C=NN(C1=O)CC(=O)OCC)N[C@H]1[C@@H]([C@@H]2C([C@H](C1)C2)(C)C)C | 5 |
C(C)C=1C(=C(C=CC1)O)NCCNC(C)=O>>OC1=C(C=O)C=CC(=C1NCCNC(C)=O)CC | 5 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([CH:14]=O)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[NH2:16][C:17]1[CH:32]=[CH:31][CH:30]=[CH:29][C:18]=1[C:19]([NH:21][C:22]1[CH:27]=[CH:26][C:25]([Cl:28])=[CH:24][N:23]=1)=[O:20].C1(C)C=CC(S([O-])(=O)=O)=CC=1.[NH+]1C=CC=CC=1.O>C1C=CC=CC=1>[Cl:28][C:25]1[CH:26]=[C... | 1 |
COC1=CC=C2C=CC(=CC2=C1)C1=CC2=CC=CC=C2C=C1>CN1C(CCC1)=O.Cl.N1=CC=CC=C1>C1=C(C=CC2=CC=C(C=C12)O)C1=CC2=CC=CC=C2C=C1 | 3 |
[CH2:1]([C:4](=[CH:8][CH2:9][CH:10]([CH3:12])[CH3:11])[C:5](=[O:7])[CH3:6])[CH:2]=[CH2:3].[H-].[H-].[H-].[H-].[Li+].[Al+3].O.[OH-].[Na+]>C1COCC1>[CH2:1]([CH:4]([CH2:8][CH:9]=[C:10]([CH3:11])[CH3:12])[CH:5]([OH:7])[CH3:6])[CH:2]=[CH2:3] | 1 |
C(OC([C:6]1[C:11](=[O:12])[NH:10][C:9]2[S:13][CH:14]=[C:15]([C:16]3[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=3)[C:8]=2[C:7]=1[OH:22])=O)C>[Na]>[OH:22][C:7]1[C:8]2[C:15]([C:16]3[CH:17]=[CH:18][CH:19]=[CH:20][CH:21]=3)=[CH:14][S:13][C:9]=2[NH:10][C:11](=[O:12])[CH:6]=1 | 1 |
N1=CC(=CC2=CC=CC=C12)B(O)O.ClC1=C2C(=NC=C1)NN=C2C(F)(F)F>>FC(C1=NNC2=NC=CC(=C21)C=2C=NC1=CC=CC=C1C2)(F)F | 5 |
C(C=C)(=O)OC(C=C)=O>ClCCl.CCN(CC)CC>[C@@H]12OC[C@@H](N(C1)CCC[C@@H]1COC=3C(=C(C=C4C(=NC(N1C34)=O)N3[C@H](CN([C@@H](C3)C)C(C=C)=O)C)Cl)C3=C(C=C(C=C3)F)F)C2 | 3 |
[Br:1][C:2]1[CH:7]=[CH:6][N:5]=[C:4]([C:8]([OH:10])=O)[CH:3]=1.C1C=CC2N(O)N=NC=2C=1.CCN=C=NCCCN(C)C.C(N(CC)CC)C.Cl.[C:40]([O:44][NH2:45])([CH3:43])([CH3:42])[CH3:41]>ClCCl>[C:40]([O:44][NH:45][C:8]([C:4]1[CH:3]=[C:2]([Br:1])[CH:7]=[CH:6][N:5]=1)=[O:10])([CH3:43])([CH3:42])[CH3:41] | 2 |
N(CC(=O)O)C(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12.C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)O[N+](=O)[O-])O>>C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)NCC(=O)O[C@@H]1[C@@H]2[C@H](OC1)[C@@H](CO2)O[N+](=O)[O-] | 5 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][N:9]2[C:17]3[C:12]4[C:13](=[CH:18][CH:19]=[CH:20][C:11]=4[C:10]2=S)[CH:14]=[CH:15][CH:16]=3)=[CH:4][CH:3]=1.[N:22]1([CH2:27][CH2:28][CH2:29][NH2:30])[CH:26]=[CH:25][N:24]=[CH:23]1>C(O)C>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][N:9]2[C:17]3[C:12]4[C:13](=[CH:18][CH:19]=[CH:20][C:11]=... | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]2[O:8][C:7]([C:9]3[CH:14]=[CH:13][C:12]([CH3:15])=[CH:11][CH:10]=3)=[N:6][C:5]2=[C:16]([C:18]([OH:20])=O)[CH:17]=1.Cl.Cl.[NH2:23][CH:24]1[CH2:31][CH:30]2[N:32]([CH3:33])[CH:26]([CH2:27][CH2:28][CH2:29]2)[CH2:25]1.Cl.C(N=C=NCCCN(C)C)C.ON1C2C=CC=CC=2N=N1.C(N(CC)CC)C>CN(C=O)C.C(OCC)(=O)C>[CH3:33][N... | 1 |
Cl.C1(CC1)CN1S(N(C2=C1C=CC(=C2)C=2C=C(C=CC2)CN)C)(=O)=O>C(C)(C)N(C(C)C)CC.CN1C(CCC1)=O.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>C(#N)C1=C(C(=O)NCC2=CC(=CC=C2)C2=CC3=C(N(S(N3C)(=O)=O)CC3CC3)C=C2)C=CC=C1.C1(CC1)CN1S(N(C2=C1C=CC(=C2)C=2C=C(CN1C(C3=CC=CC=C3C1=O)=O)C=CC2)C)(=O)=O | 3 |
C(C)(C)(C)OC(=O)N1C[C@@H](CCC1)N.O=C1NC2=C(SC=3N=CC=C(N1C1=CC=C(C=C1)OC1=CC=CC=C1)C32)C(=O)Cl>C1CCCO1.CCN(CC)CC>O=C1NC2=C(SC=3N=CC=C(N1C1=CC=C(C=C1)OC1=CC=CC=C1)C32)C(=O)N[C@H]3CN(CCC3)C(=O)OC(C)(C)C | 3 |
O=C(C(C(=O)OC)C=1C=C2C=CC=NC2=CC1)C.COC1=CC=C(C=N1)C1=NNC(=C1C1=CC=CC=C1)N>O1CCOCC1.C(C)(=O)O>COC1=CC=C(C=N1)C1=NN2C(NC(=C(C2=O)C=2C=C3C=CC=NC3=CC2)C)=C1C1=CC=CC=C1 | 3 |
[C:1]1([C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)[CH:6]=[CH:5][C:4]([C:7]2([C:10]([OH:12])=[O:11])[CH2:9][CH2:8]2)=[CH:3][CH:2]=1.S(=O)(=O)(O)O.[CH2:24](O)[CH3:25]>>[CH2:24]([O:11][C:10]([C:7]1([C:4]2[CH:5]=[CH:6][C:1]([C:13]3[CH:14]=[CH:15][CH:16]=[CH:17][CH:18]=3)=[CH:2][CH:3]=2)[CH2:9][CH2:8]1)=[O:12])[CH3:25] | 1 |
FC1=C(C(=O)O)C=CC(=C1)C>S(O)(O)(=O)=O.BrN1C(CCC1=O)=O.C(C)(=O)OCC>BrC=1C(=CC(=C(C(=O)O)C1)F)C | 3 |
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