smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[Cl:1][C:2]1[CH:7]=[C:6]([Cl:8])[CH:5]=[CH:4][N:3]=1.CCN(C(C)C)C(C)C.C([Li])CCC.[I:23]I>C1COCC1.CCOC(C)=O>[Cl:1][C:2]1[C:7]([I:23])=[C:6]([Cl:8])[CH:5]=[CH:4][N:3]=1 | 1 |
[CH3:1][C:2]1([CH3:28])[C:6]([CH3:8])([CH3:7])[O:5][B:4]([C:9]2[CH:18]=[CH:17][C:16]3[C:11](=[CH:12][CH:13]=[C:14](B4OC(C)(C)C(C)(C)O4)[CH:15]=3)[CH:10]=2)[O:3]1.I[C:30]1[NH:34][C:33]([C@@H:35]2[CH2:39][CH2:38][CH2:37][N:36]2[C:40]([O:42][C:43]([CH3:46])([CH3:45])[CH3:44])=[O:41])=[N:32][CH:31]=1>COCCOC.O.C1C=CC([P]([P... | 1 |
FC1CCNCC1.ClC1=NC(=NC(=N1)N[C@@H](C)C1=NC=C(C=C1F)F)NC=1N=CN(C1)C>>FC=1C(=NC=C(C1)F)[C@H](C)NC1=NC(=NC(=N1)NC=1N=CN(C1)C)N1CCC(CC1)F | 5 |
[CH:1](NC(C)C)(C)C.C([Li])CCC.CCCCCC.[Si:19]([O:26][C@H:27]([CH2:44][N:45]1[CH2:49][CH2:48][CH2:47][C@H:46]1[CH2:50][C:51]1[CH:56]=[CH:55][C:54]([CH3:57])=[C:53]([F:58])[CH:52]=1)[CH2:28][O:29][C@@H:30]([C:32]1[CH:37]=[CH:36][CH:35]=[CH:34][C:33]=1[CH2:38][CH2:39][C:40]([O:42][CH3:43])=[O:41])[CH3:31])([C:22]([CH3:25])... | 1 |
Br[C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][CH:10]=1)[N:5]([CH3:7])[CH3:6].II.[Br:13][C:14]1[CH:21]=[CH:20][CH:19]=[CH:18][C:15]=1[CH:16]=[O:17]>C1COCC1>[Br:13][C:14]1[CH:21]=[CH:20][CH:19]=[CH:18][C:15]=1[CH:16]([C:2]1[CH:10]=[CH:9][CH:8]=[C:4]([N:5]([CH3:7])[CH3:6])[CH:3]=1)[OH:17] | 2 |
C(C)(=O)C1=CC=C(C=C1)S(=O)(=O)Cl.C(C)(=O)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]>CNC>C(C)(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)C | 3 |
C1(CC1)C1=C(C=C(C=C1)C1=CCC2(CN(C2)C(=O)OC(C)(C)C)CC1)OC>[HH].C(C)(=O)OCC.[Pd]>C1(CC1)C1=C(C=C(C=C1)C1CCC2(CN(C2)C(=O)OC(C)(C)C)CC1)OC | 3 |
[OH:1][CH2:2][CH2:3][N:4]1[C:8]2[CH:9]=[CH:10][CH:11]=[CH:12][C:7]=2[NH:6][C:5]1=[O:13].[F:14][C:15]1[CH:20]=[CH:19][C:18](I)=[CH:17][CH:16]=1.C(=O)([O-])[O-].[K+].[K+].[I-]>[O-2].[Zn+2].O>[F:14][C:15]1[CH:20]=[CH:19][C:18]([N:6]2[C:7]3[CH:12]=[CH:11][CH:10]=[CH:9][C:8]=3[N:4]([CH2:3][CH2:2][OH:1])[C:5]2=[O:13])=[CH:17... | 1 |
N1=CN=C(C=C1)CC(=O)O.Cl.N1CCC2=CC(=CC=C12)NC(=O)C=1C(=CC=CC1)C1=CC=C(C=C1)C(F)(F)F>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=C(C=CC=C5)N=N4.F[P-](F)(F)(F)(F)F>N1=CN=C(C=C1)CC(=O)N1CCC2=CC(=CC=C12)NC(=O)C=1C(=CC=CC1)C1=CC=C(C=C1)C(F)(F)F | 3 |
[N:1]1([C:6]([C:8]2[CH:9]=[N:10][CH:11]=[CH:12][CH:13]=2)=[CH2:7])[CH2:5][CH2:4]CC1.C(C1C=NC=CC=1)(=O)C.N1CCCC1.[CH3:28][C:29]1[N:34]=C(Cl)C([N+]([O-])=O)=[C:31](Cl)[N:30]=1.C([N:43]([CH2:47][CH3:48])[CH:44]([CH3:46])[CH3:45])(C)C.N1CCCCC1.Cl[Sn]Cl>CN(C=O)C.Cl[Ti](Cl)(Cl)Cl.CCN(CC)CC>[CH3:46][CH:44]1[CH2:45][CH:28]([C:... | 1 |
ClC(C(O[C@@H]1OC([C@@H]([C@@H]2[C@H]1OC(O2)=O)OC)(C)C)=N)(Cl)Cl.C(C)C=1C(=CC=C2C=C(C(OC12)=O)NC(OCC1=CC=CC=C1)=O)O>ClCCl.CCN(CC)CC.B(F)(F)F.CCOCC>C(C)C=1C(=CC=C2C=C(C(OC12)=O)NC(OCC1=CC=CC=C1)=O)O[C@@H]1OC([C@@H]([C@@H]2[C@H]1OC(O2)=O)OC)(C)C | 3 |
[CH2:1]([C:5]1[NH:9][C:8]2[CH:10]=[C:11]3[C:16](=[CH:17][C:7]=2[N:6]=1)[CH:15]=[CH:14][CH:13]=[CH:12]3)[CH2:2][CH2:3][CH3:4].Br[CH2:19][C:20]1[CH:27]=[CH:26][C:23]([C:24]#[N:25])=[CH:22][CH:21]=1>>[CH2:1]([C:5]1[N:6]([CH2:19][C:20]2[CH:27]=[CH:26][C:23]([C:24]#[N:25])=[CH:22][CH:21]=2)[C:7]2[CH:17]=[C:16]3[C:11](=[CH:1... | 1 |
[CH3:1][O:2][C:3]1[C:7]2[NH:8][CH:9]=[C:10]([C:13](=[O:17])[CH2:14][CH2:15][CH3:16])[C:11](=O)[C:6]=2[S:5][CH:4]=1.[OH-].[Na+].P(Cl)(Cl)([Cl:22])=O>>[C:13]([C:10]1[C:11]([Cl:22])=[C:6]2[S:5][CH:4]=[C:3]([O:2][CH3:1])[C:7]2=[N:8][CH:9]=1)(=[O:17])[CH2:14][CH2:15][CH3:16] | 1 |
BrCCC.OC=1C=C(C=O)C=CC1O>C([O-])([O-])=O.[K+].[K+].[I-].[Na+].C(C)C(=O)C>OC=1C=C(C=O)C=CC1OCCC | 3 |
ClC=1C=C2C(=NC=NC2=C(C1C1=C(C=CC=C1O)F)F)N1CCN(CC1)C(CC)=O.ICCCCCCC(=O)N(C)OC>>ClC=1C=C2C(=NC=NC2=C(C1C1=C(OCCCCCCC(=O)N(C)OC)C=CC=C1F)F)N1CCN(CC1)C(CC)=O | 5 |
OC1=CC2=C(CCN(CC2)C(=O)OC(C)(C)C)C=C1NS(=O)(=O)C>C([O-])([O-])=O.[K+].[K+].BrCCBr.CC(=O)C.O>CS(=O)(=O)N1CCOC=2C1=CC1=C(CCN(CC1)C(=O)OC(C)(C)C)C2 | 3 |
[CH3:1][S:2](Cl)(=[O:4])=[O:3].C(N(CC)CC)C.[C:13]([O:17][C:18]([N:20]1[CH2:24][C@H:23]([CH2:25][OH:26])[C@@H:22]([OH:27])[CH2:21]1)=[O:19])([CH3:16])([CH3:15])[CH3:14]>C(Cl)Cl>[C:13]([O:17][C:18]([N:20]1[CH2:24][C@H:23]([CH2:25][O:26][S:2]([CH3:1])(=[O:4])=[O:3])[C@@H:22]([OH:27])[CH2:21]1)=[O:19])([CH3:16])([CH3:14])[... | 1 |
C(=O)([O-])[O-].[K+].[K+].[CH3:7][NH:8][CH:9]1[CH2:14][CH2:13][CH2:12][CH2:11][CH2:10]1.CN1CCCC1=O.F[C:23]1[CH:28]=[CH:27][C:26]([F:29])=[CH:25][C:24]=1[N+:30]([O-:32])=[O:31]>O>[CH:9]1([N:8]([CH3:7])[C:23]2[CH:28]=[CH:27][C:26]([F:29])=[CH:25][C:24]=2[N+:30]([O-:32])=[O:31])[CH2:14][CH2:13][CH2:12][CH2:11][CH2:10]1 | 1 |
CC1(N(C2=CC=C(C=C2C1)B1OC(C(O1)(C)C)(C)C)C(C)=O)C.BrC1=C(C2=C(SCC1)C=C(C=C2)O)C2=CC=C(C=C2)O[C@@H]2CN(CC2)CCCF>O.O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].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]>FCCCN1C[C@H](CC1)OC1=CC=C(C=C1)C1=C(CCSC2=C1C=CC(=C2)O)C=2C=C1CC(N(C1=CC2)... | 3 |
C(CC)=O.CC1(C23C(C(C(C1)(O)C)O)C(C(CC2)C3)(C)C)C>C1CCCO1.C1(=CC=C(C=C1)S(=O)(=O)O)C.[Br-].[Li+]>C(C)C1OC2(CC(C34C(C2O1)C(C(CC3)C4)(C)C)(C)C)C | 3 |
[C:1]([C:3]1[CH:4]=[C:5]([CH:10]=[CH:11][C:12]=1[O:13][CH2:14][CH:15]1[CH2:17][CH2:16]1)[C:6]([O:8]C)=[O:7])#[N:2].C(C1C=C(C=C(OC(C)C)C=1)C(O)=O)#N>>[C:1]([C:3]1[CH:4]=[C:5]([CH:10]=[CH:11][C:12]=1[O:13][CH2:14][CH:15]1[CH2:16][CH2:17]1)[C:6]([OH:8])=[O:7])#[N:2] | 1 |
O1N=CC=C1C(=O)O.ClC1=C(N(C2=CC=CC=C12)C1=CC=C(CNC(=O)C2(CC2)N)C=C1)C1=NOC(=N1)C>>ClC1=C(N(C2=CC=CC=C12)C1=CC=C(CNC(=O)C2(CC2)NC(=O)C2=CC=NO2)C=C1)C1=NOC(=N1)C | 5 |
Br[C:2]1[CH:10]=[CH:9][C:8]([C:11](=[O:13])[NH2:12])=[C:7]2[C:3]=1[CH:4]=[C:5]([C:14]1[CH2:19][CH2:18][N:17]([C:20]([O:22][C:23]([CH3:26])([CH3:25])[CH3:24])=[O:21])[CH2:16][CH:15]=1)[NH:6]2.[CH3:27][C:28]1[C:33](B2OC(C)(C)C(C)(C)O2)=[CH:32][CH:31]=[CH:30][C:29]=1[N:43]1[C:52](=[O:53])[C:51]2[C:46](=[CH:47][CH:48]=[CH:... | 2 |
N(N)C(=O)OC(C)(C)C.IC1=CC=C(OC2=CC=C(OC3CN4CCC3CC4)C=C2)C=C1>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C)(C)(C)OC(=O)N(N)C1=CC=C(C=C1)OC1=CC=C(C=C1)OC1CN2CCC1CC2 | 3 |
FC(C1CCN(C2=CC=CC=C12)CCN)F>>FC(C1CCN2C3=C(C=CC=C13)CNCC2)F | 5 |
C(OC)(OC)OC.O=C(CC(=O)OC)CC>S(O)(O)(=O)=O>COC(C=C(CC)OC)=O | 3 |
[C:1]([C:5]1[CH:10]=[CH:9][C:8]([S:11]([N:14]([CH2:22][C:23](O)=[O:24])[C:15]2[CH:20]=[CH:19][C:18]([CH3:21])=[CH:17][CH:16]=2)(=[O:13])=[O:12])=[CH:7][CH:6]=1)([CH3:4])([CH3:3])[CH3:2].[CH:26]1([NH:29][CH2:30][C:31]2[CH:36]=[CH:35][C:34]([O:37][CH3:38])=[C:33]([O:39][CH3:40])[CH:32]=2)[CH2:28][CH2:27]1>>[C:1]([C:5]1[C... | 1 |
[Cl:1][C:2]1[C:3]([N:10]2[CH2:15][CH2:14][CH:13]([O:16][C:17]3[CH:22]=[CH:21][C:20]([N:23]4[CH:27]([CH2:28][C:29]#[N:30])[CH:26]([CH2:31][CH3:32])[C:25]([C:33]([F:36])([F:35])[F:34])=[N:24]4)=[CH:19][CH:18]=3)[CH:12]([CH3:37])[CH2:11]2)=[CH:4][C:5]([O:8][CH3:9])=[N:6][CH:7]=1.C(C1C(CC#N)N(C2C=CC(O)=CC=2)N=C1C(F)(F)F)C.... | 1 |
C(OC([C@@H](CC1C=CC=CC=1)CC(O)=O)=O)(C)(C)C.Cl.N[C@@H](CC1C=CC(C(F)(F)F)=CC=1)CC(O)=O.BrC1C=C2C(=CC=1)NN=C2.N(CC[C@@H](NC(=O)OC(C)(C)C)CC1C=CC=CC=1)=[N+]=[N-].[NH:69]1[C:77]2[C:72](=[CH:73][C:74]([C:78]3[N:79]=[N:80][N:81]([CH2:83][CH2:84][C@@H:85]([NH2:97])[CH2:86][C:87]4[CH:92]=[CH:91][C:90](C(F)(F)F)=[CH:89][CH:88]=... | 1 |
[Br:1][C:2]1[CH:8]=[CH:7][C:5]([NH2:6])=[C:4]([OH:9])[CH:3]=1.[C:10](O)(=O)[C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1.B(O)(O)O.O>C1(C)C(C)=CC=CC=1.C(Cl)Cl>[Br:1][C:2]1[CH:8]=[CH:7][C:5]2[N:6]=[C:10]([C:11]3[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=3)[O:9][C:4]=2[CH:3]=1 | 1 |
Br[C:2]1[C:3]([F:17])=[C:4]2[O:8][C:7]([CH:9]3[CH2:11][CH2:10]3)=[N:6][C:5]2=[C:12]([C:15]#[N:16])[C:13]=1[CH3:14].C([Sn](CCCC)(CCCC)[C:23]([O:25][CH2:26][CH3:27])=[CH2:24])CCC>C1(C)C=CC=CC=1.Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.C(C1(C)C(O)=C(C(C)(C)C)C=CC1)(C)(C)... | 1 |
C[Si](C)(C)N=C=O.C(C)(C)(C)OC(=O)NCCNCC(=O)OC>ClCCCl>C(C)(C)(C)OC(=O)NCCN(CC(=O)OC)C(N)=O | 3 |
Cl[C:2]1[N:10]=[CH:9][N:8]=[C:7]2[C:3]=1[N:4]=[C:5]([C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1)[N:6]2[C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1.[NH2:23][CH2:24][CH2:25][CH2:26][OH:27]>O1CCOCC1>[C:17]1([C:5]2[N:6]([C:11]3[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=3)[C:7]3[C:3]([N:4]=2)=[C:2]([NH:23][CH2:24][CH2:25][C... | 1 |
BrC(C(=O)NC1=NOC(=C1)C(C)(C)C)(C)C.[Na+].C(CC)S(=O)[O-]>>C(C)(C)(C)C1=CC(=NO1)NC(C(C)(S(=O)(=O)CCC)C)=O | 5 |
C(C)(C)(C)OC(=O)N1C[C@@H]([C@H](CC1)CNC1=NC=2N(C(=C1)N(CC=1C=NC3=CC=CC=C3C1)C(=O)OC(C)(C)C)N=CC2C(C)C)O>Cl.O1CCOCC1>C(C)(C)C=1C=NN2C1N=C(C=C2NCC=2C=NC1=CC=CC=C1C2)NC[C@@H]2[C@H](CNCC2)O | 3 |
[NH:1]1[C:5]2[CH:6]=[CH:7][C:8]([CH2:10][NH:11][CH3:12])=[CH:9][C:4]=2[N:3]=[CH:2]1.CNCC1C=CC2C(=CC=CC=2)C=1CCC.Cl.[O:30]=[C:31]1[NH:40][C:39]2[N:38]=[CH:37][C:36](/[CH:41]=[CH:42]/[C:43]([OH:45])=O)=[CH:35][C:34]=2[CH2:33][CH2:32]1.Cl.CN1CC2C=C(/C=C/C(O)=O)C=NC=2NC(=O)C1>>[NH:1]1[C:5]2[CH:6]=[CH:7][C:8]([CH2:10][N:11]... | 1 |
OC=1C=C(C(=O)O)C=C(C1)C(F)(F)F>CO[H].Cl.O1CCOCC1>OC=1C=C(C(=O)OC)C=C(C1)C(F)(F)F | 3 |
C(C)(C)(C)C1=NN(C(=C1)NC(=O)N[C@H]1CC[C@H](C2=CC=CC=C12)OC=1C=CC=2N(C1)C(=NN2)N2[C@H](CCCC2)C)C=2C=C(C=CC2)CCOS(=O)(=O)C>>C(=O)O.C(C)(C)(C)C=1C=C(N(N1)C1=CC(=CC=C1)CCN1CCCC1)NC(=O)N[C@H]1CC[C@H](C2=CC=CC=C12)OC=1C=CC=2N(C1)C(=NN2)N2[C@H](CCCC2)C | 5 |
[H-].[Na+].[Cl:3][C:4]1[CH:9]=[CH:8][C:7]([CH2:10][C:11]([O:13][CH2:14][CH3:15])=[O:12])=[C:6]([F:16])[CH:5]=1.[CH:17](OCC)=[O:18].Cl>O1CCCC1.O>[Cl:3][C:4]1[CH:9]=[CH:8][C:7]([CH:10]([CH:17]=[O:18])[C:11]([O:13][CH2:14][CH3:15])=[O:12])=[C:6]([F:16])[CH:5]=1 | 1 |
C(CC)=O.FC=1C=C2C(=CNC2=CC1)CCCNC1CC2=C(C=CC(=C2CC1)F)OC>>FC=1C=C2C(=CNC2=CC1)CCCN(CCC)C1CC2=C(C=CC(=C2CC1)F)OC | 5 |
C1COCCN1.OC=1C=C2CCC(C2=C(C1O)[N+](=O)[O-])=O>C=O.Cl>OC=1C=C2CC(C(C2=C(C1O)[N+](=O)[O-])=O)CN1CCOCC1 | 3 |
BrC1=C(N)C=C(C(=C1)OC)Cl>C1CCCO1.CCN(CC)CC.C(C)(=O)Cl>BrC1=C(C=C(C(=C1)OC)Cl)NC(C)=O | 3 |
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([O:8][C:9]2[CH:14]=[CH:13][C:12]([CH3:15])=[CH:11][CH:10]=2)=[CH:4][CH:3]=1.C(CC(=O)C)(=O)C.C(OCCOC(=O)C)(=O)C>C([O-])(=O)CC.[Pd+2].C([O-])(=O)CC>[CH3:1][C:2]1[CH:3]=[CH:4][C:5]2[O:8][C:9]3[CH:14]=[CH:13][C:12]([CH3:15])=[CH:11][C:10]=3[C:6]=2[CH:7]=1 | 1 |
NCCCO.FC1=NC=C(C=C1)C(F)(F)F>>FC(C=1C=CC(=NC1)OCCCN)(F)F | 5 |
C(O[C:9]([CH2:11][N:12]1[CH2:22][CH2:21][CH:15]([C:16]([O:18][CH2:19][CH3:20])=[O:17])[CH2:14][CH2:13]1)=[O:10])C1C=CC=CC=1.C[O-].[Na+].C(Cl)(=O)C(C)(C)C.[Cl:33][C:34]1[CH:35]=[C:36]([CH:49]=[CH:50][CH:51]=1)[C:37]([C:39]1[C:40]([NH:46][CH2:47][CH3:48])=[N:41][C:42]([CH3:45])=[CH:43][CH:44]=1)=O>C(O)C.C1COCC1.[C].[Pd]>... | 1 |
C1(=C(F)C(F)=C(F)C(F)=C1F)S(=O)(=O)Cl.[OH-].C[N+](C)(C)C>>C[N+](C)(C)C.FC1=C(C(=C(C(=C1S(=O)(=O)[O-])F)F)F)F | 5 |
OCCN1CCNCC1.COC(C(Br)C1=CC=CC=C1)=O>>COC(C(C1=CC=CC=C1)N1CCN(CC1)CCO)=O | 5 |
BrC=1C=C(CBr)C=CC1.CC1=C(C=C(O1)C=O)B1OC(C(O1)(C)C)(C)C>O.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>BrC=1C=C(CC=2C=C(OC2C)C=O)C=CC1 | 3 |
[Cl:1][C:2]1[CH:11]=[CH:10][C:9]2[C:4](=[CH:5][CH:6]=[C:7]([O:12][CH2:13][CH2:14][CH2:15][NH:16][C:17]([N:19]([CH:28]3[CH2:33][CH2:32][CH2:31][CH2:30][CH2:29]3)[CH2:20][CH:21]([O:24][C:25](=[O:27])[CH3:26])[CH2:22][CH3:23])=[O:18])[CH:8]=2)[N:3]=1.[H-].[Na+].[CH3:36]I.O>CN(C)C=O>[Cl:1][C:2]1[CH:11]=[CH:10][C:9]2[C:4](=... | 1 |
C(C)(C)(C)OC(CCC1=C(C=C(C=C1)OCCC=1N=C(OC1C)C1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C)CNC(=O)OC(C)C)=O>>C(C)(C)(C)OC(CCC1=C(C=C(C=C1)OCCC=1N=C(OC1C)C1=CC=C(C=C1)O)CNC(=O)OC(C)C)=O | 5 |
FC1=C(C=C(C=C1)CC(CC(=O)O)CCC)OC>>FC1=C(C=C2CC(CC(C2=C1)=O)CCC)OC | 5 |
[OH-].[Na+].[C:3](OC=C)(=[O:5])[CH3:4].[CH:9]([C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=1[CH:17]=[CH2:18])=[CH2:10]>CO>[CH:3]([OH:5])=[CH2:4].[CH:9]([C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=1[CH:17]=[CH2:18])=[CH2:10] | 2 |
[C:1](Cl)(=[O:4])[CH:2]=[CH2:3].C1C2NC3C(=CC=CC=3)SC=2C=CC=1.[CH3:20][N:21]([CH3:25])[CH2:22][CH2:23][NH2:24].[OH-].[Na+]>C(Cl)(Cl)Cl.CO.CC(N(C)C)=O.CC(=O)OCC>[CH3:20][N:21]([CH3:25])[CH2:22][CH2:23][NH:24][C:1](=[O:4])[CH:2]=[CH2:3] | 2 |
CN1CCNCC1.ClC1=C(C(=C(C2=NC3=C(N21)C=CC=C3)C#N)C)CCCCCC>>C(CCCCC)C=1C(=C(C2=NC3=C(N2C1N1CCN(CC1)C)C=CC=C3)C#N)C | 5 |
C(C)(=O)OC=1C(=C2CCC(OC2=C(C1C)C)(C)C(NCCCCCC)=O)C>O.CO[H].Cl.C[O-].[Na+]>C(CCCCC)NC(=O)C1(OC2=C(C(=C(C(=C2CC1)C)O)C)C)C | 3 |
[CH3:1][O:2][C:3](=[O:35])/[CH:4]=[CH:5]/[C:6]1[CH:11]=[CH:10][C:9]([CH:12]2[CH2:16][CH2:15][CH2:14][N:13]2[CH2:17][CH2:18][C:19]2[C:27]3[C:22](=[CH:23][C:24]([N+:28]([O-])=O)=[CH:25][CH:26]=3)[NH:21][C:20]=2[C:31]([CH3:34])([CH3:33])[CH3:32])=[CH:8][CH:7]=1.[Cl-].[NH4+]>C(O)C.O.[Fe]>[CH3:1][O:2][C:3](=[O:35])/[CH:4]=[... | 1 |
CN1CCN(CC1)CC(=O)O.O\N=C(/C)\[C@H]1CC[C@H]2[C@@H]3CCC4=CC(CC[C@@]4([C@H]3CC[C@]12C)C)=O>C1(=CC=NC=C1)N(C)C.ClCCl.C(C)(C)N(C(C)C)CC.CCN=C=NCCCN(C)C>C[C@]12[C@H]3CC[C@@]4([C@H](CC[C@H]4[C@@H]3CCC2=CC(CC1)=O)/C(/C)=N/OC(CN1CCN(CC1)C)=O)C | 3 |
FC=1C=C(C=NC1)C1N(CCC1)C1=NC=2N(C=C1)N=CC2C(=O)NNC(C(C)(C)C)=O>P(=O)(Cl)(Cl)Cl>C(C)(C)(C)C=1OC(=NN1)C=1C=NN2C1N=C(C=C2)N2C(CCC2)C=2C=NC=C(C2)F | 3 |
[NH:1]1[CH:5]=[C:4]([C:6]2[C:7]([C:12]3[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=3)=[N:8][O:9][C:10]=2[CH3:11])[N:3]=[CH:2]1.F[C:19]1[CH:24]=[CH:23][C:22]([C:25]([F:28])([F:27])[F:26])=[CH:21][CH:20]=1>>[CH3:11][C:10]1[O:9][N:8]=[C:7]([C:12]2[CH:13]=[CH:14][CH:15]=[CH:16][CH:17]=2)[C:6]=1[C:4]1[N:3]=[CH:2][N:1]([C:19]2[CH:... | 1 |
[Cl:1][C:2]1[N:6]2[CH:7]=[CH:8][CH:9]=[CH:10][C:5]2=[N:4][C:3]=1[NH:11][S:12]([C:15]1[CH:16]=[N:17][C:18]([N:21]2[CH2:26][CH2:25][O:24][CH2:23][CH2:22]2)=[CH:19][CH:20]=1)(=[O:14])=[O:13].C([O-])([O-])=O.[Na+].[Na+].[F:33][C:34]1[CH:41]=[CH:40][C:37]([CH2:38]Br)=[CH:36][C:35]=1[C:42]([F:45])([F:44])[F:43]>CN(C=O)C.C(OC... | 1 |
[CH2:1]([C:6]1[CH:12]=[CH:11][C:9]([NH2:10])=[C:8]([N+:13]([O-])=O)[CH:7]=1)[C:2]([CH3:5])([CH3:4])[CH3:3]>CO.[Pd]>[CH2:1]([C:6]1[CH:7]=[C:8]([NH2:13])[C:9]([NH2:10])=[CH:11][CH:12]=1)[C:2]([CH3:5])([CH3:4])[CH3:3] | 1 |
C([N:8]1[CH2:13][CH2:12][N:11]([C:14]2[CH:22]=[CH:21][CH:20]=[C:19]3[C:15]=2[CH:16]=[CH:17][NH:18]3)[CH2:10][CH2:9]1)(OC(C)(C)C)=O.[CH3:23][O:24][C:25]1[CH:30]=[CH:29][C:28]([S:31]([Cl:34])(=[O:33])=[O:32])=[CH:27][CH:26]=1>>[ClH:34].[CH3:23][O:24][C:25]1[CH:26]=[CH:27][C:28]([S:31]([N:18]2[C:19]3[C:15](=[C:14]([N:11]4... | 1 |
N1(N=CC=C1)C=1C=C(C=CC1)C1(C(C1)CC)NCC(C(CC1=CC(=CC(=C1)F)F)NC(OC(C)(C)C)=O)O>Cl>N1(N=CC=C1)C=1C=C(C=CC1)C1(C(C1)CC)NCC(C(CC1=CC(=CC(=C1)F)F)N)O | 3 |
C1(=CC=CC=C1)C(=N)C1=CC=CC=C1.BrC=1C=C(C(=NC1)OC)NS(=O)(=O)C>N(C)(C)C=O.[Pd].[Pd].O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=CC=C1.CC(C)(C)[O-].[Na+]>C1(=CC=CC=C1)C(C1=CC=CC=C1)=NC=1C=C(... | 3 |
F[C:2](F)(F)C(O)=O.[CH3:8][C:9]1[C:17]2[C:12](=[CH:13][CH:14]=[CH:15][CH:16]=2)[NH:11][C:10]=1[C:18]([NH:20][C@@H:21]1[CH2:25][CH2:24][NH:23][CH2:22]1)=[O:19].N>>[CH3:8][C:9]1[C:17]2[C:12](=[CH:13][CH:14]=[CH:15][CH:16]=2)[NH:11][C:10]=1[C:18]([NH:20][C@@H:21]1[CH2:25][CH2:24][N:23]([CH3:2])[CH2:22]1)=[O:19] | 2 |
NCCOCCOCCOCCNC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=CC=C(C=C1)N(C)C(=O)OCC1=CC=CC=C1.OC1=CC=C(C=C1)C1=C2C(=NN1CC(=O)O)C=1C=CC=C(C1C2=O)NC(=O)NN2CCOCC2>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.F[P-](F)(F)(F)(F)F>OC1=CC=C(C=C1)C1=C2C(=NN1CC(=O)NCCOCCOCCOCCNC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=CC... | 3 |
BrC1=CC2=C(S(CC2)(=O)=O)C=C1.C(#N)C1(CC1)NC(=O)C1(CCC(CC1)(F)F)NC(=O)C=1OC2=C(C1)C=CC(=C2)B2OC(C(O2)(C)C)(C)C>C1(=CC=CC=C1)C.CCO[H].C([O-])([O-])=O.[K+].[K+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C(#N)C1(CC1)NC(=O)C1(CCC(CC... | 3 |
C(C1=CC=CC=C1)OC[C@@]1(CC(N(C1)[C@H](C)C1=CC=CC=C1)=O)CCO>>C(C1=CC=CC=C1)OC[C@@]1(CC(N(C1)[C@H](C)C1=CC=CC=C1)=O)CCBr | 5 |
C(=O)(OC(C)(C)C)N1[C@H](C(=O)O)CCC1.ClC=1C=CC(=C(CN)C1)CN1CC(C1)O>N(C)(C)C=O.CCN=C=NCCCN(C)C.ON1N=NC2=C1N=CC=C2>ClC=1C=CC(=C(CNC([C@H]2N(CCC2)C(=O)OC(C)(C)C)=O)C1)CN1CC(C1)O | 3 |
NC1=NC(=CC(=N1)Cl)Cl.CS(=O)(=O)C1=CC=C(C=C1)CCN>>ClC1=CC(=NC(=N1)N)NCCC1=CC=C(C=C1)S(=O)(=O)C | 5 |
[C:1]1([C:6]2[CH:14]=[CH:13][C:9]([C:10]([OH:12])=[O:11])=[CH:8][CH:7]=2)[CH2:5][CH2:4][CH2:3][CH:2]=1>CCO.[Pd]>[CH:1]1([C:6]2[CH:7]=[CH:8][C:9]([C:10]([OH:12])=[O:11])=[CH:13][CH:14]=2)[CH2:2][CH2:3][CH2:4][CH2:5]1 | 1 |
BrCC(=O)OC(C)(C)C.S1C2=C(C(=C1)CCC(=O)N1C(OCC1CC1=CC=CC=C1)=O)C=CC=C2>>C(C)(C)(C)OC(C[C@@H](C(=O)N1C(OCC1CC1=CC=CC=C1)=O)CC=1C2=C(SC1)C=CC=C2)=O | 5 |
[CH3:1][CH2:2][CH2:3][CH2:4][N:5]([C:8]1[C:9]2[CH:17]([CH3:18])[C:16](=O)[N:15]([C:20]3[C:25]([CH3:26])=[CH:24][C:23]([CH3:27])=[CH:22][C:21]=3[CH3:28])[C:10]=2[N:11]=[C:12]([CH3:14])[N:13]=1)[CH2:6][CH3:7].[H-].[Al+3].[Li+].[H-].[H-].[H-]>C1COCC1>[CH2:4]([N:5]([C:8]1[C:9]2[CH:17]([CH3:18])[CH2:16][N:15]([C:20]3[C:25](... | 1 |
NC1=CC(=C(C#N)C=C1)Cl.ClC1=C(C(=CC(=C1)Cl)Cl)OC(C(C(=O)OC1=C(C=C(C=C1Cl)Cl)Cl)C1=CC=CC=C1)=O>>ClC1=C(C=C2C(=C(C(NC2=C1)=O)C1=CC=CC=C1)O)C#N | 5 |
CC=1N(C2=CC(=C(C=C2C1)C#N)C)S(=O)(=O)C1=CC=CC=C1>CO[H].[OH-].[Na+].[Cl-].[NH4+]>CC=1NC2=CC(=C(C=C2C1)C#N)C | 3 |
Cl[C:2]1[N:3]=[C:4]([N:14]2[CH2:19][CH2:18][O:17][CH2:16][C@@H:15]2[CH3:20])[C:5]2[CH2:10][N:9]([C:11](=[O:13])[CH3:12])[CH2:8][C:6]=2[N:7]=1.[CH2:21]([NH:23][C:24]([NH:26][C:27]1[CH:32]=[CH:31][C:30](B2OC(C)(C)C(C)(C)O2)=[C:29]([F:42])[CH:28]=1)=[O:25])[CH3:22].ClCCl.C(=O)([O-])[O-].[Na+].[Na+]>C1C=CC(P(C2C=CC=CC=2)[C... | 1 |
C1(=CC=CC=C1)CN1CCC(CC1)=O>O.C(C)OCC.[C-]#N.[K+].S([O-])(O)(=O)=O.[Na+]>C(C1=CC=CC=C1)N1CCC(CC1)(C#N)O | 3 |
C(CCCCCCCCC)(=O)Cl.BrC1=CC(=C(C=C1)[Zn]I)F>c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>BrC1=CC(=C(C=C1)C(CCCCCCCCC)=O)F | 3 |
ClC1=C(C#N)C=C(C(=N1)Cl)I>[Cu]I.N(C)(C)C=O.C1CCCO1.[F-].[K+].C[Si](C(F)(F)F)(C)C>ClC1=C(C#N)C=C(C(=N1)Cl)C(F)(F)F | 3 |
Cl.[F:2][C:3]1[CH:11]=[C:10]2[C:6]([C:7]([C:21]3[CH:22]=[N:23][N:24]([CH:26]4[CH2:31][CH2:30][NH:29][CH2:28][CH2:27]4)[CH:25]=3)=[CH:8][N:9]2[S:12]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)(=[O:14])=[O:13])=[CH:5][CH:4]=1.CCN(CC)CC.[CH3:39][S:40](Cl)(=[O:42])=[O:41]>C(Cl)Cl>[F:2][C:3]1[CH:11]=[C:10]2[C:6]([C:7]([... | 2 |
C(CC)(=O)NC1=CC=C(C=C1)C1=CC=C(C=C1)C(=O)OC>C1CCCO1.CO[H].[OH-].[Na+]>C(CC)(=O)NC1=CC=C(C=C1)C1=CC=C(C=C1)C(=O)O | 3 |
Cl.[CH2:2]([N:9]1[C:15](=O)[CH:14]2[NH:17][CH:11]([CH2:12][CH2:13]2)[C:10]1=O)[C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1.[H-].[H-].[H-].[H-].[Li+].[Al+3].O.[OH-].[Na+]>C1COCC1>[CH2:2]([N:9]1[CH2:15][CH:14]2[NH:17][CH:11]([CH2:12][CH2:13]2)[CH2:10]1)[C:3]1[CH:4]=[CH:5][CH:6]=[CH:7][CH:8]=1 | 1 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([O:8][CH3:9])=[CH:4][C:3]=1[C:10]1[C:19]([O:20][CH2:21][CH:22]([CH3:24])[CH3:23])=[CH:18][C:13]([C:14]([O:16][CH3:17])=[O:15])=[CH:12][N:11]=1.NC(N)=[O:27].OO.FC(F)(F)C(OC(=O)C(F)(F)F)=O.C(=O)([O-])O.[Na+]>C(#N)C>[F:1][C:2]1[CH:7]=[CH:6][C:5]([O:8][CH3:9])=[CH:4][C:3]=1[C:10]1[C:19]([O:20]... | 1 |
C1(CCCCC1)[Mg]Br.FC=1C=CC2=C(C(=C(O2)C=O)COCCOC)C1>>C1(CCCCC1)C(=O)C=1OC2=C(C1COCCOC)C=C(C=C2)F | 5 |
CI.IC1=C(N)C=CC(=C1)Br>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+]>BrC=1C=CC(=C(C1)C1=CC(=CC=C1)C(=O)O)N(C)C | 3 |
N1=C(N)N=C(N)N=C1N>O.C=O>C=O.N1=C(N)N=C(N)N=C1N | 3 |
[Si](O[C@@H]1C[C@@H](CO)OC(=O)C1)([C:4](C)(C)[CH3:5])(C)C.[Na+].[Cl-].[CH3:20][O:21][CH:22]([O:25][CH3:26])[CH:23]=[O:24].C(=O)C.[OH-].[Na+].[CH2:32]([CH2:42][NH:43][C:44]([CH2:49][OH:50])([CH2:47][OH:48])[CH2:45][OH:46])[CH2:33][NH:34][C:35]([CH2:40][OH:41])([CH2:38][OH:39])[CH2:36][OH:37]>>[OH:46][CH2:45][C:44]([N:43... | 1 |
C(CCCCC)Br>N(C)(C)C=O.[I-].[Na+].[H-].[Na+].ON1C(CCC1=O)=O>C(CCCCC)ON1C(C2=CC=CC=C2C1=O)=O | 3 |
N1=CC=C(C=C1)C=O.O=C1OC2=C(C=C1NC(C1=C(C=CC=C1)N)=O)C=CC=C2>>O=C1OC2=C(C=C1NC(C1=C(C=CC=C1)NCC1=CC=NC=C1)=O)C=CC=C2 | 5 |
Br[C:2]1[CH:7]=[CH:6][C:5](/[CH:8]=[C:9](/[C:11]2[CH:20]=[CH:19][C:18]3[C:17]([CH3:22])([CH3:21])[CH2:16][CH2:15][C:14]([CH3:24])([CH3:23])[C:13]=3[CH:12]=2)\[CH3:10])=[CH:4][CH:3]=1.[P:25]([O:32][CH2:33][CH3:34])([O:29]CC)[O:26][CH2:27][CH3:28].C(Br)C>[Ni](Br)Br>[CH3:21][C:17]1([CH3:22])[CH2:16][CH2:15][C:14]([CH3:23]... | 1 |
C(C)(C)(C)OC(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.C(=O)OC1CN(CCC1)C=1N=C2N(C(C1C=O)=O)C=C(C(=C2)CCC=2SC=C(N2)C(C)C)F>>FC=1C(=CC=2N(C(C(=C(N2)N2CC(CCC2)O)/C=C/C(=O)O)=O)C1)CCC=1SC=C(N1)C(C)C | 5 |
C(C)OP(=O)(OCC)CC(=O)OC(C)(C)C.C(=O)C1=CC(=C(C(=O)OC)C=C1)OC>>C(C)(C)(C)OC(=O)/C=C/C1=CC(=C(C(=O)OC)C=C1)OC | 5 |
BrC1=CC=C(C=C1)CCC(=O)O>>BrC1=CC=C(C=C1)CCC(=O)OC | 5 |
NCC=1C(NC(=CC1CCC)C)=O.CN(CCOC=1C=C(C=2C=CN(C2C1)C(C)C)C(=O)O)C>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.Cl.CN(CCCN=C=NCC)C>CC1=CC(=C(C(N1)=O)CNC(=O)C=1C=2C=CN(C2C=C(C1)OCCN(C)C)C(C)C)CCC | 3 |
C1(CC1)S(=O)(=O)C1=CC=C(C=C1)C(C(=O)OCC)=O>>C1(CC1)S(=O)(=O)C1=CC=C(C=C1)CC(=O)OCC | 5 |
CC1(OC(=CC(O1)=O)C)C.CN(C1CC=2C=C(C=NC2CC1)N)CCC1=CC=CC=C1>C1(=CC=CC=C1)C>CN(C1CC=2C=C(C=NC2CC1)NC(CC(C)=O)=O)CCC1=CC=CC=C1 | 3 |
C1(=CC=CC=C1)C1=CC(=NO1)C(=O)O.NC1CC(C1)C(=O)NNC([C@H](C)O[Si](C)(C)C(C)(C)C)=O>C1CCCO1.CCN(CC)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>[Si](C)(C)(C(C)(C)C)OC(C(=O)NNC(=O)C1CC(C1)NC(=O)C1=NOC(=C1)C1=CC=CC=C1)C | 3 |
C(C1=CC=CC=C1)(=O)Cl.NC1=CC=C(C#N)C=C1>CC#N.O.C(C)(C)N(C(C)C)CC>C(C1=CC=CC=C1)(=O)NC1=CC=CC=C1 | 3 |
COCCCl.ClC=1C(=C(C=CC1)NC1=NC=NC2=CC(=C(C=C12)C=O)O)F>>ClC=1C(=C(C=CC1)NC1=NC=NC2=CC(=C(C=C12)C=O)OCCOC)F | 5 |
ClC1=C(C(=CC=C1)N1CCOCC1)CN1CCN(CC1)C(=O)OC(C)(C)C>>ClC=1C(=C(C=CC1)N1CCOCC1)CN1CCNCC1 | 5 |
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