smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
O1CCC2(CC1)CNC1=CC=CC=C12.CN1C(=NC(=CC1=O)N1CCOCC1)CC(=O)[O-].[Na+]>N(C)(C)C=O.c1ccncc1.Cl.CN(CCCN=C=NCC)C>CN1C(=NC(=CC1=O)N1CCOCC1)CC(N1CC2(CCOCC2)C2=CC=CC=C12)=O | 3 |
CC1(OCC(O1)CO)C>CC#N.O.C([O-])([O-])=O.[K+].[K+].[Br-].C(CCC)[N+](CCCC)(CCCC)CCCC.[Ru](Cl)(Cl)Cl.ClN1C(N(C(N(C1=O)Cl)=O)Cl)=O>CC1(OCC(O1)C(=O)O)C | 3 |
C(C)N1C(=NC=C1)CSC1=NC(=CC(=N1)O)C>>Cl.Cl.C(C)N1C(=NC=C1)CSC1=NC(=CC(=N1)O)C | 5 |
C1(CCCCC1)C1=NN2C(C=CC(=C2)OC)=C1CC1=CC=CC(=N1)C(=O)OC>CO[H].[OH-].[K+]>C1(CCCCC1)C1=NN2C(C=CC(=C2)OC)=C1CC1=CC=CC(=N1)C(=O)O | 3 |
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]=[C:9]2[S:13][C:12]([N:14]3[CH2:19][CH2:18][N:17]([CH3:20])[CH2:16][CH2:15]3)=[N:11][C:10]2=[O:21])=[CH:4][C:3]=1[O:22][CH3:23].CC#N.[CH2:27](Cl)[C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1.C([O-])([O-])=O.[K+].[K+]>CCOC(C)=O>[CH2:27]([O:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]=[C:9]2[S:... | 1 |
O1CCOC2=C1C=CC(=C2)S(=O)(=O)N2C=C1C(=C2)CN(C1)C(=O)OC(C)(C)C>ClCCl.C(=O)(C(F)(F)F)O>FC(C(=O)O)(F)F.O1CCOC2=C1C=CC(=C2)S(=O)(=O)N2C=C1C(=C2)CNC1 | 3 |
C(C)(C)(C)C1=CC=C(C=C1)S.FC1=C(C=CC(=C1)C)C[C@@H](C(=O)OC)N1C[C@@H](N(CC1)S(=O)(=O)C1=C(C=CC=C1)[N+](=O)[O-])C>N(C)(C)C=O.Cl.[OH-].[Na+].C([O-])([O-])=O.[K+].[K+].C(C)(=O)OCC>Cl.Cl.FC1=C(C=CC(=C1)C)C[C@@H](C(=O)OC)N1C[C@@H](NCC1)C | 3 |
NC=1C=NC=CC1.NC1=NC2=C(C=3N1N=C(N3)C=3OC=CC3)C=NN2C(C(=O)O)(C)C2=CC=CC=C2>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>NC1=NC2=C(C=3N1N=C(N3)C=3OC=CC3)C=NN2C(C(=O)NC2=CC=NC=C2)(C)C2=CC=CC=C2 | 3 |
FC(F)(F)C(O)=O.[O:8]([NH:16][C:17]([CH:19]1[CH2:24][CH2:23][CH2:22][CH2:21][N:20]1[S:25]([N:28]1[CH2:33][CH2:32][N:31]([C:34]2[CH:39]=[CH:38][C:37]([Cl:40])=[CH:36][CH:35]=2)[CH2:30][CH2:29]1)(=[O:27])=[O:26])=[O:18])[Si](C(C)(C)C)(C)C.C(OCC)C>C(Cl)Cl>[OH:8][NH:16][C:17]([CH:19]1[CH2:24][CH2:23][CH2:22][CH2:21][N:20]1[... | 1 |
[N+](=O)([O-])[O-].[Ce+4].[NH4+].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].COC1=CC=C(CN2C(C3(CC2)CC2=CC=C(C=C2CC3)C(=O)OC)=O)C=C1>>O=C1NCCC12CC1=CC=C(C=C1CC2)C(=O)OC | 5 |
FC=1C=C(CBr)C=CC1.OC1=C(C(C(=O)OC)=CC=C1)C(=O)OC>C([O-])([O-])=O.[K+].[K+].CC(=O)C>COC(C=1C(C(=O)OC)=C(C=CC1)OCC1=CC(=CC=C1)F)=O | 3 |
FC(F)(F)C(O)=O.C(OC(=O)[NH:14][C@@H:15]([CH2:30][N:31]1[CH2:36][C:35](=[O:37])[N:34]([C:38]2[CH:43]=[CH:42][CH:41]=[CH:40][C:39]=2[CH3:44])[CH2:33][C:32]1([CH3:46])[CH3:45])[C@@H:16]([OH:29])[CH2:17][C@H:18]([C:20](=[O:28])[NH:21][CH:22]1[CH2:27][CH2:26][CH2:25][CH2:24][CH2:23]1)[CH3:19])(C)(C)C.[C:48]([OH:55])(=[O:54]... | 1 |
[F:1][C:2]1[CH:7]=[C:6]([C:8]([OH:13])([CH3:12])[C:9]([OH:11])=[O:10])[CH:5]=[CH:4][C:3]=1[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1.[C:20](OC(=O)C)(=[O:22])[CH3:21]>O>[C:20]([O:13][C:8]([C:6]1[CH:5]=[CH:4][C:3]([C:14]2[CH:15]=[CH:16][CH:17]=[CH:18][CH:19]=2)=[C:2]([F:1])[CH:7]=1)([CH3:12])[C:9]([OH:11])=[O:10])(=[... | 1 |
FC1(C(CC1)CN1N=NC=C1C(=O)OCC)F>C1CCCO1.[OH-].[Na+]>FC1(C(CC1)CN1N=NC=C1C(=O)O)F | 3 |
[NH2:1][C:2]1[CH:22]=[CH:21][C:5]([O:6][C:7]2[CH:12]=[CH:11][C:10]([NH:13][C:14](=[O:20])[O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[CH:9][CH:8]=2)=[CH:4][C:3]=1[C:23]#[N:24].[CH:25]([C:28]1[CH:33]=[CH:32][C:31]([S:34](Cl)(=[O:36])=[O:35])=[CH:30][CH:29]=1)([CH3:27])[CH3:26]>>[C:23]([C:3]1[CH:4]=[C:5]([CH:21]=[CH:22][C:... | 2 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([S:8][C:9]2[O:13][C:12]([C:14]3[CH:19]=[CH:18][C:17]([F:20])=[CH:16][CH:15]=3)=[N:11][C:10]=2[CH:21]=[O:22])=[N:6][CH:7]=1.[CH3:23][Mg]Br.[NH4+].[Cl-]>C1COCC1>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([S:8][C:9]2[O:13][C:12]([C:14]3[CH:19]=[CH:18][C:17]([F:20])=[CH:16][CH:15]=3)=[N:11][C:10]=2[CH:21... | 1 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([Cl:8])=[CH:4][C:3]=1[C:9]([C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)=[O:10].[CH3:17][C:18]([C:22]1[CH:27]=[CH:26][C:25]([S:28](Cl)(=[O:30])=[O:29])=[CH:24][CH:23]=1)([CH3:21])[CH2:19][CH3:20]>>[C:9]([C:3]1[CH:4]=[C:5]([Cl:8])[CH:6]=[CH:7][C:2]=1[NH:1][S:28]([C:25]1[CH:26]=[CH:27][C... | 1 |
ClC1C=CC=C(C(OO)=[O:9])C=1.C(Cl)(Cl)Cl.[C:16]([N:18]1[CH2:23][CH2:22][CH:21]([NH:24][S:25]([C:27]([CH3:30])([CH3:29])[CH3:28])=[O:26])[CH2:20][CH2:19]1)#[N:17]>C(OCC)(=O)C>[C:16]([N:18]1[CH2:23][CH2:22][CH:21]([NH:24][S:25]([C:27]([CH3:30])([CH3:29])[CH3:28])(=[O:9])=[O:26])[CH2:20][CH2:19]1)#[N:17] | 1 |
Br[C:2]1[N:6]2[CH:7]=[CH:8][N:9]=[C:10]([NH2:11])[C:5]2=[C:4]([C:12]2[CH:17]=[CH:16][C:15]([O:18][C:19]3[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=3)=[CH:14][CH:13]=2)[N:3]=1.[NH:25]1[CH:29]=[CH:28][C:27](B(O)O)=[N:26]1.C(=O)([O-])[O-].[K+].[K+].COCCOC.O>C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=C... | 1 |
COCCCOC(C1CN(CCC1)CC(=O)OC)C1=CC=CC=C1>CO[H].[OH-].[Li+]>COCCCOC(C1CN(CCC1)CC(=O)[O-])C1=CC=CC=C1.[Li+] | 3 |
ClC1=NC=C2C=C(C=NC2=C1)C(=O)OCC>O.CO[H].Cl.C[O-].[Na+]>COC1=NC=C2C=C(C=NC2=C1)C(=O)O | 3 |
Cl[CH2:2][C:3]1[O:7][N:6]=[C:5]([C:8]2[N:9]=[CH:10][N:11]3[C:17]4[CH:18]=[CH:19][C:20]([F:22])=[CH:21][C:16]=4[C:15](=[O:23])[N:14]([CH3:24])[CH2:13][C:12]=23)[N:4]=1.[NH:25]1[CH2:30][CH2:29][CH2:28][CH2:27][CH2:26]1>CN(C)C=O>[F:22][C:20]1[CH:19]=[CH:18][C:17]2[N:11]3[CH:10]=[N:9][C:8]([C:5]4[N:4]=[C:3]([CH2:2][N:25]5[... | 1 |
C(=O)OCC.C(C)C(C(C)=O)CC>>C(C)C(CC)C1=NNC=C1 | 5 |
[CH3:1][S:2]([N:5]1[CH2:10][CH2:9][CH:8]([OH:11])[CH2:7][CH2:6]1)(=[O:4])=[O:3].[H-].[Na+].[F:14][C:15]1[CH:20]=[CH:19][C:18]([N:21]([CH2:32][CH:33]([CH3:35])[CH3:34])[S:22]([C:25]2[C:26](Cl)=[N:27][CH:28]=[CH:29][CH:30]=2)(=[O:24])=[O:23])=[CH:17][CH:16]=1.C([O-])(O)=O.[Na+]>C1COCC1.O>[F:14][C:15]1[CH:16]=[CH:17][C:18... | 1 |
FC1=C(C=C(C=C1)C(F)(F)F)NC(=O)NC1=CC=C(C=C1)C1=CN=C(S1)C1(CNCC1)O>CO[H].C=O.C(C)(=O)O>FC1=C(C=C(C=C1)C(F)(F)F)NC(=O)NC1=CC=C(C=C1)C1=CN=C(S1)C1(CN(CC1)C)O | 3 |
C([O-])(=O)CC(CC([O-])=O)(C([O-])=O)O.C([N:21]1[CH2:26][CH2:25][C:24]([C:47]2[CH:52]=[CH:51][C:50]([Cl:53])=[C:49]([Cl:54])[CH:48]=2)([CH2:27][NH:28][C:29]([C:31]2[C:40]3[C:35](=[CH:36][CH:37]=[CH:38][CH:39]=3)[C:34]([O:41][CH3:42])=[C:33]([C:43]#[N:44])[C:32]=2[O:45][CH3:46])=[O:30])[CH2:23][CH2:22]1)(OC(C)(C)C)=O.C(O... | 2 |
S(N)(=O)(=O)C1=CC=C(OCCCCNC(OC(C)(C)C)=O)C=C1>>NCCCCOC1=CC=C(C=C1)S(=O)(=O)N | 5 |
[C:1]([C:9]1[NH:10][C:11]2[C:16]([C:17]=1[CH2:18][C:19](O)=[O:20])=[CH:15][CH:14]=[C:13]([Cl:22])[CH:12]=2)(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[NH3:23]>C1COCC1>[C:1]([C:9]1[NH:10][C:11]2[C:16]([C:17]=1[CH2:18][C:19]([NH2:23])=[O:20])=[CH:15][CH:14]=[C:13]([Cl:22])[CH:12]=2)(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]... | 1 |
N([O-])=O.[Na+].N[C:6]1[N:11]=[C:10]([NH:12][S:13]([C:16]2[CH:21]=[CH:20][CH:19]=[C:18]([Cl:22])[C:17]=2[Cl:23])(=[O:15])=[O:14])[C:9]([O:24][CH3:25])=[N:8][C:7]=1[F:26].[BrH:27]>C(#N)C>[Br:27][C:6]1[N:11]=[C:10]([NH:12][S:13]([C:16]2[CH:21]=[CH:20][CH:19]=[C:18]([Cl:22])[C:17]=2[Cl:23])(=[O:15])=[O:14])[C:9]([O:24][CH... | 2 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.CNCCC(O)C1=CC=CC=C1>O.ClCCl>OC(CCN(C(OC(C)(C)C)=O)C)C1=CC=CC=C1 | 3 |
[C:1]1([N:7]2[C:11]3[C:12]4[CH:13]=[CH:14][CH:15]=[CH:16][C:17]=4[S:18](=[O:21])(=[O:20])[CH2:19][C:10]=3[C:9]([C:22](O)=[O:23])=[N:8]2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.C(Cl)(=O)C(Cl)=O.[NH:31]1[CH2:36][CH2:35][O:34][CH2:33][CH2:32]1>C(Cl)Cl.CN(C=O)C.Cl>[N:31]1([C:22]([C:9]2[C:10]3[CH2:19][S:18](=[O:20])(=[O:21])[C:1... | 1 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[CH:6]=[C:7]3[N:12]([C:13]=2[N:14]=1)[CH2:11][CH:10]([N:15]([CH3:26])[S:16]([C:19]1[CH:24]=[CH:23][C:22]([F:25])=[CH:21][CH:20]=1)(=[O:18])=[O:17])[CH2:9][CH2:8]3.[C:27](Cl)(=[O:31])[C:28](Cl)=[O:29].[CH3:33][OH:34]>C(Cl)Cl>[CH3:33][O:34][C:27](=[O:31])[C:28]([C:6]1[C:5]2[CH:4]=[CH:3][C:2... | 1 |
[CH3:1][O:2][C:3]([CH:5]1[CH2:9][CH:8]([N:10]=[N+]=[N-])[CH2:7][N:6]1[C:13]([O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:14])=[O:4]>C(OCC)(=O)C>[CH3:1][O:2][C:3]([CH:5]1[CH2:9][CH:8]([NH2:10])[CH2:7][N:6]1[C:13]([O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:14])=[O:4] | 1 |
C(C)(C)(C)OC[C@H](NC(NC=1SC(=C(N1)C)C1=CC(=C(C=C1)Cl)S(=O)(=O)C)=O)C(=O)OC1CCCC1>Cl.O1CCOCC1>ClC1=C(C=C(C=C1)C1=C(N=C(S1)NC(=O)N[C@@H](CO)C(=O)OC1CCCC1)C)S(=O)(=O)C | 3 |
CC1(OB(OC1(C)C)C1=CC=C(C(=O)O)C=C1)C.NC1CCOCC1>ClS(Cl)=O.CCN(CC)CC>CC1(OB(OC1(C)C)C1=CC=C(C(=O)NC2CCOCC2)C=C1)C | 3 |
OCCCCOCC#CC1=CC2=C(N(C(N2C)=O)C2C(NC(CC2)=O)=O)C=C1>>OCCCCOCCCC1=CC2=C(N(C(N2C)=O)C2C(NC(CC2)=O)=O)C=C1 | 5 |
C(C)(C)(C)C1=CC=C(C=O)C=C1.Cl.C(C)(C)(C)OC(CCN)=O>>C(C)(C)(C)OC(CCNCC1=CC=C(C=C1)C(C)(C)C)=O | 5 |
[Br:1][C:2]1[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[C:4]([F:10])[CH:3]=1.C(O)(C(F)(F)F)=[O:12].S(=O)(=O)(O)O>>[Br:1][C:2]1[CH:9]=[CH:8][C:5]([C:6]([NH2:7])=[O:12])=[C:4]([F:10])[CH:3]=1 | 1 |
Cl.Cl.Cl.[S:4]1[C:12]2[CH:11]=[CH:10][N:9]=[C:8]([N:13]3[CH2:18][CH2:17][N:16]([CH2:19][CH2:20][C@H:21]4[CH2:26][CH2:25][C@H:24]([NH2:27])[CH2:23][CH2:22]4)[CH2:15][CH2:14]3)[C:7]=2[CH:6]=[CH:5]1.[CH3:28][O:29][CH2:30][C:31](O)=[O:32]>>[CH3:28][O:29][CH2:30][C:31]([NH:27][C@H:24]1[CH2:25][CH2:26][C@H:21]([CH2:20][CH2:1... | 1 |
NC1=C(C=CC(=C1)C)O.BrC(C(=O)Br)C1=CC=CC=C1>>BrC(C(=O)NC1=C(C=CC(=C1)C)O)C1=CC=CC=C1 | 5 |
[O:1]=[C:2]([CH:4]=[C:5]([CH3:7])C)[CH3:3].CCCC[N+:12]([CH2:21][CH2:22]CC)([CH2:17][CH2:18][CH2:19]C)CCCC.[F-]>>[NH:12]1[CH:17]=[CH:18][CH:19]=[C:21]1[CH2:22][CH2:7][CH2:5][CH2:4][C:2](=[O:1])[CH3:3] | 1 |
N1CCC(CC1)NC(OC(C)(C)C)=O.BrCC(C)O>>OC(CN1CCC(CC1)NC(OC(C)(C)C)=O)C | 5 |
ClC1=C(N)C=C(C=C1)OC.BrC=1C(=NC=CC1)C(F)(F)F>>ClC1=C(C=C(C=C1)OC)NC=1C(=NC=CC1)C(F)(F)F | 5 |
FC(S(=O)(=O)O[Si](C)(C)C(C)(C)C)(F)F.O[C@H]([C@H](C(C([C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)(C)C)=O)C)[C@H](CCCC(=C)C)C>C1(=NC(=CC=C1)C)C.Cl>[Si](C)(C)(C(C)(C)C)O[C@H]([C@H](C(C([C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)(C)C)=O)C)[C@H](CCCC(=C)C)C | 3 |
C(C)(=O)OC(C)=O.COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)Cl.[C@@H]1(C[C@H](O)[C@H](S1)CO)N1C(=O)NC(=O)C=C1>c1ccncc1>COC1=CC=C(C(C2=CC=C(C=C2)OC)(C2=CC=CC=C2)OC[C@@H]2[C@H](C[C@@H](S2)N2C(=O)NC(=O)C=C2)OC(C)=O)C=C1 | 3 |
[C:1]([N:4]1[CH2:9][CH2:8][N:7]([C:10]2[CH:15]=[CH:14][C:13]([N+:16]([O-])=O)=[C:12]([CH3:19])[CH:11]=2)[CH2:6][CH2:5]1)(=[O:3])[CH3:2]>[Pd].C(O)C>[C:1]([N:4]1[CH2:5][CH2:6][N:7]([C:10]2[CH:15]=[CH:14][C:13]([NH2:16])=[C:12]([CH3:19])[CH:11]=2)[CH2:8][CH2:9]1)(=[O:3])[CH3:2] | 1 |
[NH2:1][N:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]1=[NH2+:8].CC1C=C(C)C=C(C)C=1S([O-])(=O)=O.[OH-].[Na+].[Cl:24][CH2:25][C:26](OC)=O>CCO>[Cl:24][CH2:25][C:26]1[N:8]=[C:3]2[CH:4]=[CH:5][CH:6]=[CH:7][N:2]2[N:1]=1 | 1 |
BrC1=CC(=C(C(=O)O)C=C1)F.N[C@H]1CN(CC1)C(=O)OC(C)(C)C>C1CCCO1.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>BrC1=CC(=C(C(=O)N[C@H]2CN(CC2)C(=O)OC(C)(C)C)C=C1)F | 3 |
C(C)(=O)OC[C@H]1O[C@@H]([C@H]([C@H]([C@@H]1OC(C)=O)OC(C)=O)OC(C)=O)CC1=CC=C(C=C1)I.C(C)(=O)OC[C@H]1O[C@@H]([C@H]([C@H]([C@@H]1OC(C)=O)OC(C)=O)OC(C)=O)CC1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C>>C(C)(=O)OC[C@H]1O[C@@H]([C@H]([C@H]([C@@H]1OC(C)=O)OC(C)=O)OC(C)=O)CC1=CC=C(C=C1)C1=CC=C(C=C1)C[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1OC(C)=... | 5 |
OCC12CC3CC(CC(C1)C3)C2.ClC1=CC=[N+](C=C1)[O-]>>C12(CC3CC(CC(C1)C3)C2)COC2=CC=[N+](C=C2)[O-] | 5 |
C(C)(C)C1=C(N)C(=CC(=C1)C(C)C)C(C)C.FC(C=1C=C(C=C(C1)C(F)(F)F)S(=O)(=O)Cl)(F)F>c1ccncc1.C(C)(=O)OCC>FC(C=1C=C(C=C(C1)C(F)(F)F)S(=O)(=O)NC1=C(C=C(C=C1C(C)C)C(C)C)C(C)C)(F)F | 3 |
[CH3:1][C@@H:2]1[O:7][C@@H:6]([O:8][C@@H:9]2[C:14]3=[C:15]([OH:32])[C:16]4[C:28](=[O:29])[C:27]5[C:22](=[CH:23][CH:24]=[CH:25][C:26]=5[O:30][CH3:31])[C:20](=[O:21])[C:17]=4[C:18]([OH:19])=[C:13]3[CH2:12][C@@:11]([OH:37])([C:33]([CH2:35][OH:36])=[O:34])[CH2:10]2)[CH2:5][C@H:4]([NH2:38])[C@@H:3]1[OH:39].[NH2:40][C@H:41](... | 2 |
C(C)(C)C=1C=C(C=C(C1OC)C(C)C)C(CC(=O)O)CC(=O)OCC>N(C)(C)C=O.ClCCl.C(C(=O)Cl)(=O)Cl>ClC(CC(CC(=O)OCC)C1=CC(=C(C(=C1)C(C)C)OC)C(C)C)=O | 3 |
C1(CC1)C=O.O=C(C)C(CCCCCC)P(OCC)(OCC)=O>>C1(CC1)\C=C\C(/C(/CCCCCC)=C/C1CC1)=O.C1(CC1)\C=C(\C(C)=O)/CCCCCC | 5 |
BrC1=NC=CC=C1.[N+](=O)([O-])C1=CC(=C(C=O)C=C1)OC>>COC1=C(C=CC(=C1)[N+](=O)[O-])C(O)C1=NC=CC=C1 | 5 |
ClC1=NC=CC(=N1)Cl.OC1=C(CNC(=O)NC2=CC(=NN2C2=CC=C(C=C2)OC)C(C)(C)C)C=CC=C1>[OH-].[Na+].CC(=O)C>ClC1=NC=CC(=N1)OC1=C(CNC(=O)NC2=CC(=NN2C2=CC=C(C=C2)OC)C(C)(C)C)C=CC=C1 | 3 |
FC(C1=CC=C(N)C=C1)(F)F.[S-]C#N.[K+]>Cl>FC(C1=CC=C(C=C1)NC(=S)N)(F)F | 3 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([CH:9]([C:31]2[CH:36]=[CH:35][C:34]([O:37][CH3:38])=[CH:33][CH:32]=2)[N:10]2[C:14]3[CH:15]=[CH:16][CH:17]=[C:18]([O:19][C:20]4[CH:29]=[C:28](F)[CH:27]=[CH:26][C:21]=4[C:22]([O:24][CH3:25])=[O:23])[C:13]=3[N:12]=[CH:11]2)=[CH:5][CH:4]=1.[NH:39]1[CH2:44][CH2:43][NH:42][CH2:41][CH2:40]... | 1 |
C(C)(=O)Cl.NC1=C(C2=C(CN(CC2)C(=O)OC(C)(C)C)S1)C=1SC2=C(N1)C(=CC=C2)C>ClCCl.C(C)(C)N(C(C)C)CC>C(C)(=O)NC1=C(C2=C(CN(CC2)C(=O)OC(C)(C)C)S1)C=1SC2=C(N1)C(=CC=C2)C | 3 |
[F:1][C:2]1[CH:20]=[CH:19][C:5]([CH2:6][CH:7]2[CH2:13][CH:12]3[N:14]([C:15](=[O:18])[CH2:16][OH:17])[CH:9]([CH2:10][CH2:11]3)[CH2:8]2)=[CH:4][CH:3]=1.[H-].[Na+].Cl[C:24]1[C:29]([N+:30]([O-:32])=[O:31])=[CH:28][C:27]([Cl:33])=[CH:26][N:25]=1>C1(C)C=CC=CC=1>[N+:30]([C:29]1[C:24]([O:17][CH2:16][C:15]([N:14]2[CH:9]3[CH2:10... | 2 |
C([O:3][C:4]([C:6]1[S:10][C:9]2[CH:11]=[CH:12][C:13]([NH:15][C:16](=[O:23])[C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=3)=[CH:14][C:8]=2[CH:7]=1)=O)C.[NH2:24][OH:25].Cl.C[O-].[Na+]>CO>[OH:25][NH:24][C:4]([C:6]1[S:10][C:9]2[CH:11]=[CH:12][C:13]([NH:15][C:16](=[O:23])[C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=3)=[CH:1... | 1 |
ClC=1C=C(C=CC1S(=O)(=O)C)[C@H](C(=O)NC1=NN(C=C1)C)CC1CCCC1.NC1=NN(C=C1)CC1=CC=C(C#N)C=C1>>ClC=1C=C(C=CC1S(=O)(=O)C)[C@H](C(=O)NC1=NN(C=C1)CC1=CC=C(C=C1)C#N)CC1CCCC1 | 5 |
P(Cl)(Cl)(Cl)(Cl)Cl.[Cl:7][C:8]1[CH:19]=[CH:18][C:11]([O:12][CH2:13][CH2:14][C:15]([OH:17])=O)=[C:10]([CH3:20])[CH:9]=1.[Cl-].[Al+3].[Cl-].[Cl-]>C1C=CC=CC=1>[Cl:7][C:8]1[CH:19]=[C:18]2[C:11](=[C:10]([CH3:20])[CH:9]=1)[O:12][CH2:13][CH2:14][C:15]2=[O:17] | 1 |
NC1=CC=C(C=C1)C1=CC=CC=C1.C(C)(=O)N\C(=C(/C(=O)OC)\CCC1=CC=CC=C1)\C1=C(C(=CC=C1)F)OC>>C1(=CC=C(C=C1)N1C(=NC(=C(C1=O)CCC1=CC=CC=C1)C1=C(C(=CC=C1)F)OC)C)C1=CC=CC=C1 | 5 |
[Cl-].COC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.C(C=C)OC1=CC=C(C(=C1C=O)Cl)Cl>CC(C)(C)[O-].[K+].C1CCCO1.[Cl-].[NH4+]>ClC1=C(C(=C(C=C1)OCC=C)\C=C\OC)Cl | 3 |
O.[OH-].[Li+].C([O:7][CH2:8][C:9]1[CH:10]=[C:11]([CH:16]=[CH:17][C:18]=1[Br:19])[C:12]([O:14]C)=[O:13])(=O)C.Cl.C(OCC)(=O)C>O.O1CCCC1>[Br:19][C:18]1[CH:17]=[CH:16][C:11]([C:12]([OH:14])=[O:13])=[CH:10][C:9]=1[CH2:8][OH:7] | 2 |
Cl.COC(CN)=O.C(C)(C)(C)[Si](OC(COC1=C(C=C(C=C1)C(CC)(CC)C1=CC(=C(S1)C=O)C)C)C(C)(C)C)(C)C>>COC(CNCC=1SC(=CC1C)C(CC)(CC)C1=CC(=C(C=C1)OCC(C(C)(C)C)O[Si](C)(C)C(C)(C)C)C)=O | 3 |
N(C1=CC=CC=C1)C1=C(C=NC2=CC=C(C=C12)N1CCN(CC1)C(CCOCCOCCNC(OC(C)(C)C)=O)=O)C(N)=O>ClCCl.C(=O)(C(F)(F)F)O>NCCOCCOCCC(=O)N1CCN(CC1)C=1C=C2C(=C(C=NC2=CC1)C(=O)N)NC1=CC=CC=C1 | 3 |
[C:1]([O:5][C:6]([N:8]1[C:12]2[C:13]([F:21])=[CH:14][C:15]([N:18]=[C:19]=[S:20])=[C:16]([CH3:17])[C:11]=2[N:10]=[CH:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[CH2:22]([NH2:25])[CH2:23][NH2:24]>C(Cl)Cl>[C:1]([O:5][C:6]([N:8]1[C:12]2[C:13]([F:21])=[CH:14][C:15]([NH:18][C:19]([NH:24][CH2:23][CH2:22][NH2:25])=[S:20])=[C:16]([CH... | 1 |
ClCOC.FC1=C(C=C(C=O)C=C1)O>ClCCl.C(C)(C)N(C(C)C)CC>FC1=C(C=C(C=O)C=C1)OCOC | 3 |
C=1(C(=CC=CC1)S(=O)(=O)Cl)C.CC1=C(OC(O1)=O)CO.C(C)(C)(C)OC(=O)N1C[C@@H](C[C@@H](C1)N(CC(C)C)C(=O)C=1N=NN(C1CCCCOC)C1=C(C=CC=C1)C)C(=O)O>C1(=CC=NC=C1)N(C)C.C([O-])([O-])=O.[K+].[K+].CN(C(C)=O)C.OC(=O)CC(O)(CC(O)=O)C(O)=O>COCCCCC1=C(N=NN1C1=C(C=CC=C1)C)C(=O)N([C@H]1C[C@H](CN(C1)C(=O)OC(C)(C)C)C(=O)OCC=1OC(OC1C)=O)CC(C)C | 3 |
CN1CCNCC1.CC1=CC=C(C=C1)N=C=O>C(C)OCC>CN1CCN(CC1)C(=O)NC1=CC=C(C=C1)C | 3 |
C(C)(C)(C)OC(=O)N1CCC(CC1)OS(=O)(=O)C>C1CCCO1.C1CCC2=NCCCN2CC1>N1(CCC=CC1)C(=O)OC(C)(C)C | 3 |
[Br:1][CH2:2][CH2:3][C:4]1[CH:16]=[CH:15][C:7]([O:8][CH2:9][C:10]([O:12][CH2:13][CH3:14])=[O:11])=[CH:6][C:5]=1[O:17][CH3:18].[Cl:19]OC(C)(C)C.S([O-])([O-])=O.[Na+].[Na+]>ClCCl.O>[Br:1][CH2:2][CH2:3][C:4]1[C:5]([O:17][CH3:18])=[CH:6][C:7]([O:8][CH2:9][C:10]([O:12][CH2:13][CH3:14])=[O:11])=[C:15]([Cl:19])[CH:16]=1 | 1 |
S(Cl)(Cl)=O.ClC1C=CC=CC=1OC(C)C(O)=O.ClC1C=CC=CC=1OC(C)C(Cl)=O.[CH3:31][O:32][C:33]1[CH:34]=[C:35]2[C:40](=[CH:41][C:42]=1[O:43][CH3:44])[N:39]=[CH:38][N:37]=[C:36]2[O:45][C:46]1[CH:52]=[CH:51][C:49]([NH2:50])=[CH:48][CH:47]=1.[Cl:53][C:54]1[CH:67]=[CH:66][CH:65]=[CH:64][C:55]=1[O:56][CH:57]([CH3:63])[C:58]([N:60]=[C:6... | 1 |
[Br-].C[Mg+].C(C=C)[C@]1([C@H](N(C1)C1(C2=CC=CC=C2C=2C=CC=CC12)C1=CC=CC=C1)C(=O)O)C=O>C1CCCO1.[Cl-].[NH4+]>C(C=C)[C@]1([C@H](N(C1)C1(C2=CC=CC=C2C=2C=CC=CC12)C1=CC=CC=C1)C(=O)O)C(C)O | 3 |
BrC=1SC(=CC1C(=O)O)C1=CC=CC=C1>ClS(Cl)=O.[Na+].[BH4-]>BrC=1SC(=CC1CO)C1=CC=CC=C1 | 3 |
[NH:1](C(OC(C)(C)C)=O)[CH2:2][C:3]([NH:5][C@H:6]([C:11]([NH:13][C@H:14]([C:16]([O:18][CH2:19][C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1)=[O:17])[CH3:15])=[O:12])[CH2:7][CH:8]([CH3:10])[CH3:9])=[O:4].FC(F)(F)C(O)=O.N[C@H](C(N[C@H](C(OCC1C=CC=CC=1)=O)C)=O)CC(C)C.FC(F)(F)C([O-])=O.[ClH:68]>CCOCC.C(OCC)(=O)C>[NH2:1][CH... | 1 |
C(C1=CC=CC=C1)[C@H]1N(C(OC1)=O)C=1C=C(C=CC1)C1NC2=CC=C(C=C2CC1(C)C)C(=O)O>>C(C1=CC=CC=C1)[C@H]1N(C(OC1)=O)C=1C=C(C=CC1)C1NC2=CC=C(C=C2CC1(C)C)C(=O)NS(=O)(=O)C | 5 |
C(C)OC(\C=C\C1=CC2=C(N(C(C(C(N2C)=O)(C)C)=O)CC)C=C1)=O>>C(C)OC(CCC1=CC2=C(N(C(C(C(N2C)=O)(C)C)=O)CC)C=C1)=O | 5 |
Cl.N1CCC(CC1)C(C)O>O.ClCCl.CCN(CC)CC.ClC(=O)OCC>OC(C)C1CCN(CC1)C(=O)OCC | 3 |
NC1=C(C=C(C(=O)OCC)C=C1C)C.ClC1=CC=C(C(=N1)C(=O)O)C>ClCCl.C(C)(C)N(C(C)C)CC.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>ClC1=CC=C(C(=N1)C(=O)NC1=C(C=C(C(=O)OCC)C=C1C)C)C | 3 |
C(C)(C)(C)OC(=O)N1OC(C[C@H]1C1=CC(=CC(=C1)F)C#N)O>CO[H].[Na+].[BH4-].[Cl-].[NH4+]>C(#N)C=1C=C(C=C(C1)F)[C@H](CCO)N(C(OC(C)(C)C)=O)O | 3 |
[Cl:1][C:2]1[CH:21]=[C:20]([Cl:22])[CH:19]=[CH:18][C:3]=1[CH2:4][N:5]1[C:9]([CH2:10][CH2:11][C:12]([OH:14])=O)=[CH:8][C:7]([CH:15]([CH3:17])[CH3:16])=[N:6]1.[CH2:23]([S:28]([NH2:31])(=[O:30])=[O:29])[CH2:24][CH2:25][CH2:26][CH3:27].N12CCCN=C1CCCCC2>O1CCCC1>[Cl:1][C:2]1[CH:21]=[C:20]([Cl:22])[CH:19]=[CH:18][C:3]=1[CH2:4... | 2 |
BrCC1=C(C=C(C=C1)Cl)F.C(C)(C)OC1=NNC(=C1)CCC(=O)OCC>>ClC1=CC(=C(CN2N=C(C=C2CCC(=O)OCC)OC(C)C)C=C1)F | 5 |
C[Si](C)(C)C#C.CCC(CC)=O>>C(C)C(C#C[Si](C)(C)C)(CC)O | 5 |
Br[C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:12]([CH2:13][CH2:14][CH3:15])[C:11]3[C:16]([Cl:20])=[CH:17][CH:18]=[CH:19][C:10]=3[N:9]=2)=[CH:4][C:3]=1[Cl:21].[NH2:22][C:23]1[CH:28]=[CH:27][C:26]([CH3:29])=[CH:25][CH:24]=1.C1C=CC(P(C2C(C3C(P(C4C=CC=CC=4)C4C=CC=CC=4)=CC=C4C=3C=CC=C4)=C3C(C=CC=C3)=CC=2)C2C=CC=CC=2)=CC=1.C([O-])([O-... | 2 |
[H-].[Al+3].[Li+].[H-].[H-].[H-].[Cl:7][C:8]1[CH:13]=[CH:12][C:11]([C@H:14]2[NH:19][C@@H:18]([C:20](OC)=[O:21])[CH2:17][CH2:16][CH2:15]2)=[CH:10][CH:9]=1.O.[OH-].[Na+]>C1COCC1.C(OCC)(=O)C>[Cl:7][C:8]1[CH:13]=[CH:12][C:11]([C@H:14]2[NH:19][C@@H:18]([CH2:20][OH:21])[CH2:17][CH2:16][CH2:15]2)=[CH:10][CH:9]=1 | 1 |
[C:1](OC(=O)C)(=[O:3])[CH3:2].[Cl:8][C:9]1[CH:14]=[C:13]([Cl:15])[CH:12]=[CH:11][C:10]=1[CH:16]([OH:28])[C:17]([C:22]1[CH:23]=[N:24][CH:25]=[CH:26][CH:27]=1)([OH:21])[CH:18]([CH3:20])[CH3:19].C(N(CC)CC)C.C(=O)(O)[O-].[Na+]>C(Cl)Cl>[C:1]([O:28][CH:16]([C:10]1[CH:11]=[CH:12][C:13]([Cl:15])=[CH:14][C:9]=1[Cl:8])[C:17]([C:... | 1 |
ClC1=CN=C2C(=N1)N(N=C2C(C)=O)CC2CCOCC2>O.CO[H].[Na+].[BH4-].[Cl-].[NH4+]>ClC1=CN=C2C(=N1)N(N=C2C(C)O)CC2CCOCC2 | 3 |
[CH3:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[N:8]1[C:12](=[O:13])[N:11]([CH3:14])[N:10]=[N:9]1.[Br:15]N1C(=O)CCC1=O>C(Cl)(Cl)(Cl)Cl>[Br:15][CH2:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[N:8]1[C:12](=[O:13])[N:11]([CH3:14])[N:10]=[N:9]1 | 2 |
NC(C[C@H]1[C@@](C1)(C1=CC(=CC(=C1)F)F)CNC(OC(C)(C)C)=O)=O>CO[H].CCO[H].Cl.O1CCOCC1.C[O-].[Na+]>FC=1C=C(C=C(C1)F)[C@]12CNC(C[C@@H]2C1)=O | 3 |
CC1=C(C=CC(=C1)OC1=CC=CC=C1)N1C(NC2=C(SC=3N=CC=C1C32)C(=O)OC)=O>O.C1CCCO1.CO[H].[OH-].[Li+]>CC1=C(C=CC(=C1)OC1=CC=CC=C1)N1C(NC2=C(SC=3N=CC=C1C32)C(=O)O)=O | 3 |
O1CCN(CC1)C=1C=C(C=CC1)NC(OC(C)(C)C)=O>>N1(CCOCC1)C=1C=C(C=CC1)N | 5 |
C(C)(C)(C)C1=CC(=CC2=C1OCC2(C)C)C(C)=O>CO[H].ClCCCl.Cl[I-]Cl.C[N+](C)(C)Cc1ccccc1>ClC1=CC2=C(OC(C2(C)C)C(C)=O)C(=C1)C(C)(C)C | 3 |
[CH3:1][C:2]1([CH3:17])[CH:4](/[CH:5]=[CH:6]\[C:7](=[O:13])[O:8][CH2:9][CH:10]([F:12])[F:11])[CH:3]1[C:14]([OH:16])=[O:15].[CH2:18]([N:21]1[CH2:25][C:24](=[O:26])[N:23]([CH2:27]O)[C:22]1=[O:29])[C:19]#[CH:20]>C(Cl)(Cl)Cl>[CH3:1][C:2]1([CH3:17])[C@@H:4](/[CH:5]=[CH:6]\[C:7](=[O:13])[O:8][CH2:9][CH:10]([F:11])[F:12])[C@H... | 1 |
[N:1]1[CH:6]=[CH:5][CH:4]=[C:3]([CH2:7][OH:8])[CH:2]=1.C1(C)C=C(C)C=C(C)C=1S(O[NH2:21])(=O)=O.C[O:24][C:25]([C:27]#[C:28]C(OC)=O)=[O:26].OS(O)(=O)=O>>[OH:8][CH2:7][C:3]1[C:2]2[N:1]([N:21]=[C:27]([C:25]([OH:24])=[O:26])[CH:28]=2)[CH:6]=[CH:5][CH:4]=1 | 1 |
Cl.[CH3:2][C:3]1[C:7]([CH:8]([C:21]2[O:22][C:23]3[CH:29]=[CH:28][C:27]([CH2:30][C:31]([NH:33][CH:34]([C:41]4[CH:46]=[CH:45][C:44]([CH3:47])=[CH:43][C:42]=4[CH3:48])[C:35]4[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=4)=[O:32])=[CH:26][C:24]=3[CH:25]=2)[N:9]2[CH2:12][CH:11]([NH:13]C(=O)OC(C)(C)C)[CH2:10]2)=[C:6]([CH3:49])[O:5]... | 2 |
[Cl:1]C1C=C(C=C(Cl)C=1)CN1CCN(C(OC(C)(C)C)=O)CC1.[CH:23]1([C:26]2[C:27]([CH2:40][N:41]3[CH2:46][CH2:45][N:44]([CH:47]([C:49]4[CH:54]=[C:53]([Cl:55])[CH:52]=[C:51]([Cl:56])[CH:50]=4)[CH3:48])[CH2:43][CH2:42]3)=[CH:28][C:29]([F:39])=[C:30]([CH:38]=2)[C:31]([O:33]C(C)(C)C)=[O:32])[CH2:25][CH2:24]1>>[ClH:1].[ClH:55].[CH:23... | 2 |
Cl.ON.C(#N)C1=CC=C(C(=O)O)C=C1>>ONC(=N)C1=CC=C(C(=O)O)C=C1 | 5 |
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