smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[H-].[Na+].[C:3]([OH:7])(=[O:6])[CH2:4][OH:5].[CH2:8](Br)[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1>C1COCC1>[C:3]([O:7][CH2:8][C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1)(=[O:6])[CH2:4][OH:5] | 1 |
[Br:1][C:2]1[CH:3]=[CH:4][C:5]([F:35])=[C:6]([C@:8]2([CH3:34])[CH:14]3[C@:12]([C:15]([OH:17])=O)([CH2:13]3)[S:11][C:10]([N:18]([C:27]([O:29][C:30]([CH3:33])([CH3:32])[CH3:31])=[O:28])[CH2:19][O:20][CH2:21][CH2:22][Si:23]([CH3:26])([CH3:25])[CH3:24])=[N:9]2)[CH:7]=1.C(N1C=CN=C1)(N1C=CN=C1)=O.[CH:48]1([NH2:51])[CH2:50][C... | 2 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[N:6]([C:8]([CH:11]([C:13]3[CH:14]=[C:15]4[C:19](=[CH:20][CH:21]=3)[N:18]([CH3:22])[N:17]=[CH:16]4)O)=[CH:9][N:10]=2)[N:7]=1.II.O[PH2]=O>CC(O)=O>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[N:6]([C:8]([CH2:11][C:13]3[CH:14]=[C:15]4[C:19](=[CH:20][CH:21]=3)[N:18]([CH3:22])[N:17]=[CH:16]4)=[CH:9][N:10]=... | 1 |
[CH3:1][C:2]([C:8]1[CH:9]=[C:10]2[C:15](=[C:16]([C:18]3[CH:19]=[C:20]([C:24]4[CH:25]=[CH:26][C:27](=[O:40])[NH:28][C:29]=4[C:30]4[CH:35]=[CH:34][C:33]([S:36]([CH3:39])(=[O:38])=[O:37])=[CH:32][CH:31]=4)[CH:21]=[CH:22][CH:23]=3)[CH:17]=1)[N:14]=[CH:13][CH:12]=[CH:11]2)([S:4]([CH3:7])(=[O:6])=[O:5])[CH3:3].[H-].[Na+].[CH... | 1 |
ClCC(CO)O>CCN(CC)CC.CCCCCC>[Cl-].OC(C[N+](CC)(CC)CC)CO | 3 |
ClC=1C(=C2C=CC(=NC2=CC1)N1C[C@H](CC1)NCCO[Si](C)(C)C(C)(C)C)NC(CCC1CCCC1)=O>>ClC=1C(=C2C=CC(=NC2=CC1)N1C[C@H](CC1)NCCO)NC(CCC1CCCC1)=O | 5 |
[F:1][C:2]1[CH:8]=[CH:7][C:5]([NH2:6])=[CH:4][CH:3]=1.[CH2:9]([C:11]1[N:16]=[C:15]([Cl:17])[N:14]=[C:13]([N:18]2[CH2:27][CH2:26][C:25]3[C:20](=[CH:21][CH:22]=[CH:23][CH:24]=3)[CH2:19]2)[CH:12]=1)[CH3:10]>CN(C)C=O>[ClH:17].[CH2:9]([C:11]1[N:16]=[C:15]([NH:6][C:5]2[CH:7]=[CH:8][C:2]([F:1])=[CH:3][CH:4]=2)[N:14]=[C:13]([N... | 1 |
[N+](=O)([O-])C1=CC=C(OC2CN(CC2)C(=O)OC(C)(C)C)C=C1>ClCCl.C(=O)(C(F)(F)F)O>[N+](=O)([O-])C1=CC=C(OC2CNCC2)C=C1 | 3 |
ClCC1=NC2=CC=CC=C2C(N1C)=O.CN1N=C(C(=C1)C1=CC=NC=C1)C1=CC=C(C=C1)O.O=S1(N(C(=NC2=C1C=CC=C2)CCl)C)=O>>CN1C(=NC2=CC=CC=C2C1=O)COC1=CC=C(C=C1)C1=NN(C=C1C1=CC=NC=C1)C | 5 |
COC(C1=CC=C(C=C1)C=O)=O.C(C)(C)(C)OC(=O)N1C(CCCC1)CN>O.C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>COC(=O)C1=CC=C(C=C1)CNCC1N(CCCC1)C(=O)OC(C)(C)C | 3 |
C([O:5][C:6](/[CH:8]=[CH:9]/[C:10]1[N:15]=[C:14](/[CH:16]=[CH:17]/[C:18]([O:20][CH2:21][CH3:22])=[O:19])[CH:13]=[CH:12][CH:11]=1)=[O:7])(C)(C)C.[C:23]([OH:29])([C:25]([F:28])([F:27])[F:26])=[O:24]>C(Cl)Cl>[CH2:21]([O:20][C:18](/[CH:17]=[CH:16]/[C:14]1[N:15]=[C:10](/[CH:9]=[CH:8]/[C:6]([OH:7])=[O:5])[CH:11]=[CH:12][CH:1... | 2 |
ClC1=NC(=CC(=N1)NC)C.N1(CCCC1)CCCOC1=CC(=CC2=C1OCO2)N>Cl.CC(C)O>CNC1=NC(=NC(=C1)C)NC1=CC2=C(OCO2)C(=C1)OCCCN1CCCC1 | 3 |
[OH:1][CH2:2][C:3]1([CH2:15][OH:16])[CH2:9][CH2:8][S:7][C:6]2[CH:10]=[CH:11][CH:12]=[CH:13][C:5]=2[C:4]1=[O:14].C(N(CC)CC)C.[C:24]1([N:34]=[C:35]=[S:36])[C:33]2[C:28](=[CH:29][CH:30]=[CH:31][CH:32]=2)[CH:27]=[CH:26][CH:25]=1>O1CCCC1>[OH:16][CH2:15][C:3]1([CH2:2][O:1][C:35](=[S:36])[NH:34][C:24]2[C:33]3[C:28](=[CH:29][C... | 1 |
OC1=CC=C(C=O)C=C1.CS(=O)(=O)OCCC1=NC=C(C=C1)C(C)OCOC>C1(=CC=CC=C1)C.CCO[H].C([O-])([O-])=O.[K+].[K+]>COCOC(C)C=1C=CC(=NC1)CCOC1=CC=C(C=O)C=C1 | 3 |
C1=C(C=CC2=CC=CC=C12)N1C(C(=CC=C1)C(=O)OC)=O>C1CCCO1.CO[H].[OH-].[Na+]>C1=C(C=CC2=CC=CC=C12)N1C(C(=CC=C1)C(=O)O)=O | 3 |
Cl.NCC=1C(NC(=CC1C)C)=O.CC=1C(=CSC1C1N(CCC1)C1CCOCC1)C(=O)O>>CC1=C(C(NC(=C1)C)=O)CNC(=O)C1=CSC(=C1C)C1N(CCC1)C1CCOCC1 | 5 |
C([O:6][CH:7]([C:9]1[CH:14]=[CH:13][C:12]([O:15][CH:16]([O:18][CH2:19][CH3:20])[CH3:17])=[CH:11][CH:10]=1)[CH3:8])(=O)CCC.[BH4-].[Na+].[CH2:23](O)C>>[O:18]1[CH2:19][CH2:20][CH2:23][CH2:17][CH:16]1[O:15][C:12]1[CH:11]=[CH:10][C:9]([CH:7]([OH:6])[CH3:8])=[CH:14][CH:13]=1 | 1 |
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([N+:8]([O-:10])=[O:9])=[CH:4][C:3]=1[I:11].[F:12][C:13]1[CH:20]=[CH:19][CH:18]=[C:17]([F:21])[C:14]=1[CH2:15]Br>>[F:12][C:13]1[CH:20]=[CH:19][CH:18]=[C:17]([F:21])[C:14]=1[CH2:15][O:1][C:2]1[CH:7]=[CH:6][C:5]([N+:8]([O-:10])=[O:9])=[CH:4][C:3]=1[I:11] | 2 |
O=C1O[C@@H]2CC[C@@H]([C@H]1C2)NC(OCC2=CC=CC=C2)=O>C1CCCO1.[BH4-].[Li+]>O[C@H]1C[C@H]([C@H](CC1)NC(OCC1=CC=CC=C1)=O)CO | 3 |
Cl[C:2]1[C:3]2[C:4](=[CH:18][N:19](CC3C=CC(OC)=CC=3)[N:20]=2)[N:5]=[C:6]([C:8]2[CH:13]=[CH:12][CH:11]=[C:10]([S:14]([CH3:17])(=[O:16])=[O:15])[CH:9]=2)[N:7]=1.[NH2:30][C:31]1[CH:36]=[CH:35][C:34]([N:37]2[CH2:42][CH2:41][N:40]([C:43](=[O:45])[CH3:44])[CH2:39][CH2:38]2)=[CH:33][CH:32]=1.Cl>CO.O1CCOCC1>[CH3:17][S:14]([C:1... | 2 |
ClC1=C(C=O)C(=CC=C1)Cl.C(C)[Mg]Cl.C1CCOC1>C1CCCO1>ClC1=C(C(=CC=C1)Cl)C(CC)O | 3 |
C(C)(C)(C)N1N=CC(=C(C1=O)Cl)Cl.[Si](C)(C)(C(C)(C)C)OCCCCC1=CC=C(C=C1)CO>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C)(C)(C)N1N=CC(=C(C1=O)Cl)OCC1=CC=C(C=C1)CCCCO[Si](C)(C)C(C)(C)C | 3 |
C1(CC1)C=1C=CC=2N(C1)C=C(N2)CN2N=NC(=C2)C(=O)NCC2=C(C=CC(=C2F)OC)C=2C=NC(=NC2)C(=O)OC>O.C1CCCO1.CO[H].O[Li].O>C1(CC1)C=1C=CC=2N(C1)C=C(N2)CN2N=NC(=C2)C(=O)NCC2=C(C=CC(=C2F)OC)C=2C=NC(=NC2)C(=O)O | 3 |
NC=1C=NC=CC1.CS(=O)C1=NC=2C3=C(CCC2C=N1)C(=CC=C3)OC>>COC1=CC=CC2=C1CCC=1C=NC(=NC21)NC=2C=NC=CC2 | 5 |
ClC(=O)OC1=CC=CC=C1.FC(OC1=CC=C(N)C=C1)(F)F>CC#N.c1ccncc1>C1(=CC=CC=C1)OC(NC1=CC=C(C=C1)OC(F)(F)F)=O | 3 |
ClCCCS(=O)(=O)Cl.NCCCCN1C(=NC=2C(=NC(=C(C21)C)C)N)CCC>>O=S1(N(CCC1)CCCCN1C(=NC=2C(=NC(=C(C21)C)C)N)CCC)=O | 5 |
C(C)C=1C(=CC(=C2CCC(NC12)=O)OC)F>CO[H].ClCCl.B(Br)(Br)Br>C(C)C=1C(=CC(=C2CCC(NC12)=O)O)F | 3 |
[ClH:1].[OH-].[Na+:3].[C:4]1([OH:10])[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1.[NH2:11][C@H:12]([C:19]([OH:21])=[O:20])[CH2:13][C:14]1[N:18]=[CH:17][NH:16][CH:15]=1>C([O-])(=O)C.[Zn+2].C([O-])(=O)C.OCC(CO)O>[C:4]1([OH:10])[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1.[CH:9]1[C:4]([OH:10])=[CH:5][CH:6]=[CH:7][C:8]=1[CH3:12].[Na+:3].[Cl-:... | 1 |
C(=C)C1=C(C=CC=C1)B(O)O.COC(CCCCCNC=1C2=C(N=CN1)OC(=C2C2=CC=C(C=C2)OC)Br)=O>C([O-])([O-])=O.[K+].[K+].COCCOC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>COC(CCCCCNC=1C2=C(N=CN1)OC(=C2C2=CC=C(C=C2)OC)C2=C(C=CC=C2)C=C)=O | 3 |
C([Si](C)(C)[O:6][C@@H:7]1[CH2:12][CH2:11][C@H:10]([C:13]2[CH:18]=[CH:17][C:16]([N:19]3[CH2:23][CH2:22][C:21]4([CH2:28][CH2:27][O:26][CH2:25][CH2:24]4)[C:20]3=[O:29])=[CH:15][CH:14]=2)[CH2:9][CH2:8]1)(C)(C)C.CCCC[N+](CCCC)(CCCC)CCCC.[F-].CO>C1COCC1.C(Cl)Cl.CCOC(C)=O>[OH:6][CH:7]1[CH2:8][CH2:9][CH:10]([C:13]2[CH:14]=[CH... | 1 |
C(CBr)OCCBr.FC1=C(CC#N)C=CC=C1F>[H-].[Na+].CN1C(CCC1)=O>FC1=C(C=CC=C1F)C1(CCOCC1)C#N | 3 |
C(C)(C)(C)C1=CC=C(C=C1)S(=O)(=O)Cl.C1=NC=C(C2=CC=CC=C12)N1N=C(C=C1N)C>>C(C)(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC1=CC(=NN1C1=CN=CC2=CC=CC=C12)C | 5 |
[F:1][CH:2]([F:27])[O:3][C:4]1[CH:5]=[C:6]([C:11]2[O:12][CH:13]=[C:14]([CH2:16][CH2:17][C:18]([C:20]3[C:25]([CH3:26])=[CH:24][CH:23]=[CH:22][N:21]=3)=[O:19])[N:15]=2)[CH:7]=[CH:8][C:9]=1[OH:10].Br[CH2:29][CH2:30][CH:31]=[CH2:32]>>[CH2:32]([O:10][C:9]1[CH:8]=[CH:7][C:6]([C:11]2[O:12][CH:13]=[C:14]([CH2:16][CH2:17][C:18]... | 1 |
[C:1]([O:13][CH3:14])(=[O:12])[C:2]1[CH:11]=[CH:10][CH:9]=[C:4]([C:5]([O:7]C)=O)[CH:3]=1.[N:15]1C=CC=CC=1.[CH3:21][O:22][C:23]1[CH:32]=[CH:31][C:26]([CH2:27][N:28]=[C:29]=[O:30])=[CH:25][CH:24]=1.C(N=C=O)CC1C=CC=CC=1>CS(C)=O>[CH3:21][O:22][C:23]1[CH:32]=[CH:31][C:26]([CH2:27][N:28]2[C:5](=[O:7])[C:4]3[C:9](=[CH:10][CH:... | 2 |
CI.C(C(C)C)(=O)CC(=O)OCC>>CC(C(=O)OCC)C(C(C)C)=O | 5 |
CN1CCNCC1.C(=O)C=1C=CC2=C(C=C(O2)C=2C=NC=C(C#N)C2NC=2C(=C3C=CNC3=CC2)C)C1>>CC1=C2C=CNC2=CC=C1NC1=C(C=NC=C1C#N)C=1OC2=C(C1)C=C(C=C2)CN2CCN(CC2)C | 5 |
O(C1=CC=CC=C1)C=1C=C2C(C(=O)N(C2=O)C)=CC1>C1(C=2C(C(=O)O1)=CC=CC2)=O>CN1C(C=2C(C1=O)=CC=CC2)=O | 3 |
[N:1]1([C:5]2[N:10]=[C:9]([NH:11]CC3C=CC(OC)=CC=3)[CH:8]=[CH:7][CH:6]=2)[CH2:4][CH2:3][CH2:2]1.C(O)(C(F)(F)F)=O.C([O-])([O-])=O.[Na+].[Na+]>ClCCl>[N:1]1([C:5]2[N:10]=[C:9]([NH2:11])[CH:8]=[CH:7][CH:6]=2)[CH2:4][CH2:3][CH2:2]1 | 2 |
[CH2:1]([C:3]1[C:7]([CH2:8][CH3:9])=[CH:6][NH:5][CH:4]=1)[CH3:2].C(O[CH2:14][C:15]1[NH:16][C:17]([C:27]([O:29][CH2:30][C:31]2[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=2)=[O:28])=[C:18]([CH3:26])[C:19]=1[CH2:20][CH2:21][C:22]([O:24][CH3:25])=[O:23])(=O)C.[C:37]1([CH3:47])[CH:42]=[CH:41][C:40](S(O)(=O)=O)=[CH:39][CH:38]=1>>[... | 1 |
ClC1=NC=NC(=C1)C(F)(F)F.N1C=C(C2=CC=CC=C12)CN1C(C2(CC1)CNCC2)=O>>N1C=C(C2=CC=CC=C12)CN1C(C2(CC1)CN(CC2)C2=NC=NC(=C2)C(F)(F)F)=O | 5 |
[OH:1][C:2]1[C:3]([OH:18])=[N:4][C:5]2[C:6]([N:17]=1)=[C:7]1[C:12](=[CH:13][CH:14]=2)[N:11]=[C:10]([CH3:15])[C:9]([CH3:16])=[N:8]1.[N+:19]([O-])([O-:21])=[O:20].[K+].[OH-].[Na+]>S(=O)(=O)(O)O>[OH:1][C:2]1[C:3]([OH:18])=[N:4][C:5]2[C:6]([N:17]=1)=[C:7]1[C:12](=[C:13]([N+:19]([O-:21])=[O:20])[CH:14]=2)[N:11]=[C:10]([CH3:... | 1 |
[N+:1]([C:4]1[CH:21]=[CH:20][C:7]2[N:8]=[C:9]([NH:11][C:12](=[O:19])[C:13]3[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=3)[S:10][C:6]=2[CH:5]=1)([O-])=O.[Sn].[OH-].[Na+]>C(O)(=O)C>[NH2:1][C:4]1[CH:21]=[CH:20][C:7]2[N:8]=[C:9]([NH:11][C:12](=[O:19])[C:13]3[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=3)[S:10][C:6]=2[CH:5]=1 | 2 |
[Na].[CH2:2]([OH:4])[CH3:3].Cl[C:6]1[C:15]2[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=2)[O:9][CH:8]([C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)[C:7]=1[CH:22]=[O:23]>O>[CH2:2]([O:4][C:6]1[C:15]2[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=2)[O:9][CH:8]([C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)[C:7]=1[CH:22]=[O:23])[CH3:3] | 1 |
[C:1]([NH:5][C:6]1[C:7]([C:12]([NH2:14])=[O:13])=[N:8][CH:9]=[CH:10][N:11]=1)(=O)[CH2:2][CH3:3]>C([O-])([O-])=O.[Na+].[Na+]>[CH2:2]([C:1]1[NH:14][C:12](=[O:13])[C:7]2[C:6](=[N:11][CH:10]=[CH:9][N:8]=2)[N:5]=1)[CH3:3] | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]2[CH:12]([C:13]3[CH:18]=[CH:17][C:16]([Cl:19])=[CH:15][CH:14]=3)[N:11]([C:20]([N:22]3[CH2:27][CH2:26][CH:25]([CH2:28]O)[CH2:24][CH2:23]3)=[O:21])[C:10]([C:30]3[CH:35]=[CH:34][C:33]([C:36]([F:39])([F:38])[F:37])=[CH:32][C:31]=3[O:40][CH2:41][CH3:42])=[N:9]2)=[CH:4][CH:3]=1.C(Br)(Br)(... | 1 |
[C:1]([C:3]1[CH:33]=[CH:32][C:6]([O:7][C:8]2[CH:9]=[C:10]([CH:20]=[C:21]([O:23][C:24]3[CH:29]=[CH:28][C:27]([C:30]#[N:31])=[CH:26][CH:25]=3)[CH:22]=2)[C:11]([NH:13][CH:14]2[CH2:19][CH2:18][NH:17][CH2:16][CH2:15]2)=[O:12])=[CH:5][CH:4]=1)#[N:2].[C:34]([O:38][C:39](=[O:45])[NH:40][CH2:41][CH2:42][CH2:43]Br)([CH3:37])([CH... | 1 |
COC=1N=C2C(=CC=NC2=CC1)NC(=O)[C@H]1N(CC(CC1)=O)C(=O)OC(C)(C)C.O1CCOC2=C1C=CC(=C2)CN>ClCCCl.C(#N)[BH3-].[Na+]>O1CCOC2=C1C=CC(=C2)CN[C@H]2CC[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)NC2=CC=NC1=CC=C(N=C21)OC | 3 |
C(C)C1=C(N=CC2=C1C1=C(N2)N=CC=C1)C#N>N(C)(C)C=O.BrN1C(CCC1=O)=O>BrC1=CC2=C(NC3=C2C(=C(N=C3)C#N)CC)N=C1 | 3 |
ClCCl.[CH:4]([O:7][C:8]([N:10]1[CH2:16][CH2:15][CH2:14][CH:13]([N:17]([C:33](=[O:35])[CH3:34])[CH2:18][C:19]2[CH:24]=[C:23]([C:25]([F:28])([F:27])[F:26])[CH:22]=[C:21]([C:29]([F:32])([F:31])[F:30])[CH:20]=2)[C:12]2[N:36]=[C:37](Cl)[CH:38]=[CH:39][C:11]1=2)=[O:9])([CH3:6])[CH3:5].[CH3:41]B(O)O.[F-].[Cs+]>O1CCOCC1.O>[CH:... | 2 |
[CH2:1]([O:3][P:4]([C:9]1[CH:14]=[CH:13][C:12]([CH2:15]O)=[CH:11][CH:10]=1)([O:6][CH2:7][CH3:8])=[O:5])[CH3:2].S(Cl)([Cl:19])=O>N1C=CC=CC=1.C(Cl)Cl>[CH2:1]([O:3][P:4]([C:9]1[CH:14]=[CH:13][C:12]([CH2:15][Cl:19])=[CH:11][CH:10]=1)([O:6][CH2:7][CH3:8])=[O:5])[CH3:2] | 1 |
[CH3:1][CH:2]1[CH2:7][C:6]2[CH:8]=[CH:9][S:10][C:5]=2[S:4](=[O:12])(=[O:11])[NH:3]1.[H-].[Na+].[CH3:15][O:16][CH2:17][CH2:18][CH2:19]Br>CN(C=O)C>[CH3:15][O:16][CH2:17][CH2:18][CH2:19][N:3]1[CH:2]([CH3:1])[CH2:7][C:6]2[CH:8]=[CH:9][S:10][C:5]=2[S:4]1(=[O:12])=[O:11] | 1 |
[CH2:1]([Si:3]([CH2:12][CH3:13])([CH2:10][CH3:11])[C:4]#[C:5][CH2:6][CH2:7][CH2:8]O)[CH3:2].[I-:14].[I-].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.N1C=CN=C1>C(#N)C>[CH2:1]([Si:3]([CH2:12][CH3:13])([CH2:10][CH3:11])[C:4]#[C:5][CH2:6][CH2:7][CH2:8][I:14])[CH3:2] | 1 |
FC1=C(C=C(C=C1)N(C(C1=CC=CC=C1)=O)C)[N+](=O)[O-].NCCC(=O)N>>NC1=NC2=C(N1CCC(N)=O)C=CC(=C2)N(C(C2=CC=CC=C2)=O)C | 5 |
[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[NH:7][C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=1[NH2:14].[O:15]1[CH:19]=[CH:18][C:17](/[CH:20]=[CH:21]/[C:22](Cl)=O)=[CH:16]1.N1C=CC=CC=1N1C2C=CC=CC=2N=C1/C=C/C1C=CC=CC=1>>[O:15]1[CH:19]=[CH:18][C:17](/[CH:20]=[CH:21]/[C:22]2[N:7]([C:2]3[CH:3]=[CH:4][CH:5]=[CH:6][N:1]=3)[C:8]3[CH... | 1 |
FC([C@](C(=O)O)(C1=CC(=CC=C1)OC)O)(F)F.NC1(CC1)CCC1CCN(CC1)C(=O)OC(C)(C)C>C1CCCO1.CCN(CC)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>FC([C@](C(=O)NC1(CC1)CCC1CCN(CC1)C(=O)OC(C)(C)C)(C1=CC(=CC=C1)OC)O)(F)F | 3 |
[Br:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][C:9]=1[F:10])C=O.[CH:11]([O:18][CH2:19][CH3:20])([O:15][CH2:16][CH3:17])OCC.[Br-].[Br-].[Br-].C([N+](CCCC)(CCCC)CCCC)CCC.C([N+](CCCC)(CCCC)CCCC)CCC.C([N+](CCCC)(CCCC)CCCC)CCC.C([O-])(O)=O.[Na+]>C(O)C>[Br:1][C:2]1[CH:3]=[C:4]([CH:11]([O:15][CH2:16][CH3:17])[O:18][CH2:19][CH3:20])[C... | 1 |
C(C(C)C)=O.N[C@@H](CC(C)C)CO>C1(=CC=CC=C1)C>C(C)(C)C1OC[C@@H](N1)CC(C)C | 3 |
[CH3:1][N:2]([CH3:9])[CH2:3][CH2:4][O:5][CH2:6][CH2:7][OH:8].[H-].[Na+].Cl[C:13]1[CH:18]=[C:17]([C:19]#[N:20])[CH:16]=[CH:15][N:14]=1>CN(C=O)C>[CH3:1][N:2]([CH3:9])[CH2:3][CH2:4][O:5][CH2:6][CH2:7][O:8][C:13]1[CH:18]=[C:17]([C:19]#[N:20])[CH:16]=[CH:15][N:14]=1 | 1 |
O.[CH2:2]([N:9]1[C:14]([CH3:15])=[CH:13][C:12](=O)[N:11]=[C:10]1[NH:17][CH3:18])[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8].P(Cl)(Cl)([Cl:21])=O>>[Cl-:21].[Cl:21][C:12]1[CH:13]=[C:14]([CH3:15])[N+:9]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])=[C:10]([NH:17][CH3:18])[N:11]=1 | 1 |
NC1=C2C(C(=CN(C2=C(C(=C1F)F)OC(C)C)C1CC1)C(=O)OCC)=O>>NC1=C2C(C(=CN(C2=C(C(=C1F)F)OC(C)C)C1CC1)C(=O)O)=O | 5 |
[CH:1]1[C:6]([NH2:7])=[CH:5][CH:4]=[C:3]([OH:8])[CH:2]=1.[Br:9][CH2:10][CH2:11][CH2:12][C:13](Cl)=[O:14]>CC(C)=O>[Br:9][CH2:10][CH2:11][CH2:12][C:13]([NH:7][C:6]1[CH:5]=[CH:4][C:3]([OH:8])=[CH:2][CH:1]=1)=[O:14] | 1 |
ClC1=NC=CC(=N1)Cl.OC1=C(CNC(=O)NC=2OC(=C(N2)C)C(C)(C)O)C=CC=C1>[OH-].[Na+].CC(=O)C>ClC1=NC=CC(=N1)OC1=C(CNC(=O)NC=2OC(=C(N2)C)C(C)(C)O)C=CC=C1 | 3 |
CN(CCCN)C.C(C)(=O)OCC1=C(C=C(C(=C1)F)N)N1C=C(C(C2=CC(=C(C(=C12)Br)F)F)=O)C(=O)OCC>CC#N.CCN(CC)CC.C(C)(=O)OCC>C(C)(=O)OCC1=C(C=C(C(=C1)F)N)N1C=C(C(C2=CC(=C(C(=C12)Br)NCCCN(C)C)F)=O)C(=O)OCC | 3 |
C(=O)([O-])[O-].[K+].[K+].CC1[C:14](=[O:15])[C:13]2[N:16]3[C@@:20](OC)([C@H](COC(N)=O)C=2C(=O)C=1OC)[C@H:19]1[NH:29][C@H:18]1[CH2:17]3>>[NH2:29][CH2:18][CH2:17][N:16]1[CH2:13][CH2:14][O:15][CH2:19][CH2:20]1 | 1 |
[NH2:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[B:8]([OH:10])[OH:9].[C:11](OC(=O)C)(=[O:13])[CH3:12]>O1CCOCC1>[C:11]([NH:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[B:8]([OH:10])[OH:9])(=[O:13])[CH3:12] | 1 |
Cl.[NH2:2][C@H:3]([C:11]([OH:13])=[O:12])[CH2:4][C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1.[C:14](=N)([C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1)[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1>C(Cl)Cl>[C:15]1([C:14]([C:21]2[CH:22]=[CH:23][CH:24]=[CH:25][CH:26]=2)=[N:2][C@H:3]([C:11]([OH:13])=[O:12])[CH2:4][C:5]2[CH:1... | 1 |
BrC=1C(=CC(=NC1)OC)C(=O)C1=CC=CC=C1>ClCCl.Cl.N1=CC=CC=C1>C(C1=CC=CC=C1)(=O)C1=CC(NC=C1Br)=O | 3 |
COC(COC1=C(C=C(C=C1)Cl)CO)=O>ClCCl.P(Br)(Br)Br>COC(COC1=C(C=C(C=C1)Cl)CBr)=O | 3 |
BrC1=CC=C(C2=CC=CC=C12)N.C1(CC1)B(O)O>C1(=CC=CC=C1)C.O.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].C1(CCCCC1)P(C1CCCCC1)C1CCCCC1>C1(CC1)C1=CC=C(C2=CC=CC=C12)N | 3 |
ClC1=C(C=CC=C1COC=1C=C(C(=CC1Cl)C=O)OCC=1C=NC=C(C#N)C1)C1=C(C(=CC=C1)COC=1C=C(C(=CC1Cl)C=O)OCC=1C=NC=C(C#N)C1)Cl>O.C1CCCO1.S(N)(O)(=O)=O.Cl(=O)[O-].[Na+]>ClC1=C(C=CC=C1COC1=CC(=C(C(=O)O)C=C1Cl)OCC=1C=NC=C(C1)C#N)C1=C(C(=CC=C1)COC1=CC(=C(C(=O)O)C=C1Cl)OCC=1C=NC=C(C1)C#N)Cl | 3 |
[CH2:1]([P:3]([C:14]1[CH:19]=[C:18]([O:20][C:21]2[CH:26]=[CH:25][C:24]([C:27]([F:30])([F:29])[F:28])=[CH:23][C:22]=2[Cl:31])[CH:17]=[CH:16][C:15]=1[N+:32]([O-])=[O:33])([O:5][N:6]=[C:7]([CH3:13])[C:8]([O:10][CH2:11][CH3:12])=[O:9])=[O:4])[CH3:2].NN>O1CCCC1.[Rh]>[CH2:1]([P:3]([C:14]1[CH:19]=[C:18]([O:20][C:21]2[CH:26]=[... | 1 |
[OH-].[Na+].[F:3][C:4]1[CH:5]=[C:6]([CH:28]=[CH:29][C:30]=1[F:31])[CH2:7][C:8]1[S:9][C:10]2[CH:16]=[CH:15][CH:14]=[C:13]([C:17]3[CH:18]=[C:19]([CH:25]=[CH:26][CH:27]=3)[C:20](OCC)=[O:21])[C:11]=2[CH:12]=1.Cl.CC[N:35]=C=NCCCN(C)C.C1C=CC2N(O)N=NC=2C=1.N>CN(C=O)C.CO.C1COCC1>[F:3][C:4]1[CH:5]=[C:6]([CH:28]=[CH:29][C:30]=1[... | 2 |
[F:1][C:2]([F:21])([F:20])[C:3]([NH:5][C:6](=[C:8]([C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)[C:9]([O:11]CC)=[O:10])[CH3:7])=[O:4].S(=O)(O)[O-].[Na+]>[I-].C[SiH](C)C>[F:1][C:2]([F:20])([F:21])[C:3]([NH:5][C:6](=[C:8]([C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)[C:9]([OH:11])=[O:10])[CH3:7])=[O:4] | 1 |
C=1C=CN2C1CNC1=C(C2)C=CC=C1.CC1=C(C(=O)NC2=CC(=C(C(=O)Cl)C=C2)Cl)C=C(C=C1)F>O.ClCCl.C(C)(C)N(C(C)C)CC>C=1C=CN2C1CN(C1=C(C2)C=CC=C1)C(=O)C1=C(C=C(C=C1)NC(C1=C(C(=CC=C1)F)C)=O)Cl | 3 |
OCC1=CC=2C(N3C(=NC2C=C1)CCC3)=O>>ClCC1=CC=2C(N3C(=NC2C=C1)CCC3)=O | 5 |
BrC=1C=C(C=2N(C1)C=CN2)NC(=O)NC.OC(C)(C)C1=CC=C(C(=O)NC2=C(C(=CC=C2)B2OC(C(O2)(C)C)(C)C)C)C=C1>>OC(C)(C)C1=CC=C(C(=O)NC2=C(C(=CC=C2)C=2C=C(C=3N(C2)C=CN3)NC(=O)NC)C)C=C1 | 5 |
C(C)(C)C1=CN(C2=CN=C(C(=C21)C)N2CCN(CC2)C(=O)OC(C)(C)C)COCC[Si](C)(C)C>N(C)(C)C=O.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC.C(CN)N>C(C)(C)C1=CNC2=CN=C(C(=C21)C)N2CCN(CC2)C(=O)OC(C)(C)C | 3 |
OC(C(=O)OC)(C)C.BrC1=NC(=CC=C1[N+](=O)[O-])Br>>COC(C(C)(C)OC1=NC(=CC=C1[N+](=O)[O-])Br)=O | 5 |
[F:1][C:2]([F:31])([F:30])[C:3]([CH2:18][C:19]1([CH3:29])[C:28]2[C:23](=[CH:24][CH:25]=[CH:26][CH:27]=2)[CH2:22][CH2:21][CH2:20]1)([OH:17])[CH:4]=[N:5][C:6]1[CH:15]=[CH:14][CH:13]=[C:12]2[C:7]=1[CH:8]=[CH:9][C:10]([CH3:16])=[N:11]2.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].C(=O)([O-])[O-].[Na+].[Na+].C(OCC)(=O)C>C(O)(=O)C>[... | 1 |
BrC=1SC(=CN1)C(=O)NCC1=NC=C(C=C1F)F.Cl.C(C)C1CNCCC1=O>O.C([O-])([O-])=O.[Na+].[Na+]>FC=1C(=NC=C(C1)F)CNC(=O)C1=CN=C(S1)N1CC(C(CC1)=O)CC | 3 |
C1(=CC=CC=C1)B(O)O.CC1=C(C=C(C(=C1)OC)I)C1=CC=CC2=CC=CC(=C12)C1=C(C=C(C(=C1)I)OC)C>C1(=CC=CC=C1)C.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>COC1=CC(=C(C=C1C1=CC=CC=C1)C1=CC=CC2=CC=CC(=C12)C=... | 3 |
[CH2:1](Cl)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C([O-])([O-])=O.[K+].[K+].[OH:15][C:16]1[CH:23]=[CH:22][C:19]([C:20]#[N:21])=[C:18]([CH3:24])[CH:17]=1>C(#N)C.O>[CH2:1]([O:15][C:16]1[CH:23]=[CH:22][C:19]([C:20]#[N:21])=[C:18]([CH3:24])[CH:17]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 2 |
CN.CS(=O)(=O)OCCNC(OC(C)(C)C)=O>C1CCCO1>C(C)(C)(C)OC(NCCNC)=O | 3 |
C(N)(OC(C)(C)C)=O.ClC1=NC(=CC=C1CC(F)(F)F)Cl>C(Cl)(Cl)(Cl)[H].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].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.C(=O)([O-])[O-].[Cs+].[Cs+]>ClC1=C(C=CC(=N1)... | 3 |
[Si](C)(C)(C(C)(C)C)OC1CCC(CC1)N1C=2N(C(=C(C1=O)CC=1C=CC(=NC1)C1=C(C#N)C=CC=C1)CCC)N=CN2>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>C(#N)C1=C(C=CC=C1)C1=CC=C(C=N1)CC=1C(N(C=2N(C1CCC)N=CN2)[C@@H]2CC[C@H](CC2)OCC(=O)OCC)=O | 3 |
C(C)(C)(C)OC(N(C)C)OC(C)(C)C.C(#N)C1=C(C=C(O[C@@H](C(=O)O)C)C=C1)F>>C(C)(C)(C)OC([C@@H](C)OC1=CC(=C(C=C1)C#N)F)=O | 5 |
[Br:1][C:2]1[CH:7]=[C:6]([CH2:8]OS(C)(=O)=O)[CH:5]=[C:4]([CH3:14])[N:3]=1.[N-:15]=[N+:16]=[N-:17].[Na+]>CN(C=O)C>[N:15]([CH2:8][C:6]1[CH:5]=[C:4]([CH3:14])[N:3]=[C:2]([Br:1])[CH:7]=1)=[N+:16]=[N-:17] | 1 |
C(C)(=O)OC(C(=O)O)COC(C)=O>>C(C)(=O)OC(C(=O)Cl)COC(C)=O | 5 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:8]=[CH:9][C:10]=1[OH:11])[CH:6]=[O:7].C(=O)([O-])[O-].[K+].[K+].[CH:18]1[CH:23]=[CH:22][C:21]([CH2:24]Br)=[CH:20][CH:19]=1>CC(C)=O>[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:8]=[CH:9][C:10]=1[O:11][CH2:24][C:21]1[CH:22]=[CH:23][CH:18]=[CH:19][CH:20]=1)[CH:6]=[O:7] | 1 |
[Cl-].[Al+3].[Cl-].[Cl-].[CH2:5]([O:7][C:8]([C:10]1[N:11]([CH2:34][C:35]2[CH:40]=[CH:39][CH:38]=[C:37]([O:41][CH3:42])[CH:36]=2)[C:12]2[C:17]([C:18]=1[C:19]1[CH:24]=[CH:23][C:22]([C:25]([CH3:28])([CH3:27])[CH3:26])=[CH:21][CH:20]=1)=[CH:16][CH:15]=[CH:14][C:13]=2[C:29]([CH:31]1[CH2:33][CH2:32]1)=O)=[O:9])[CH3:6]>ClCCl>... | 1 |
C(C)(C)OC1=C(C=C(C=C1)OC(C)C)C1=NC=2C(=NC=C(C2)C(=O)OCC)N1>>C(C1=CC=CC=C1)OC=1C=C(C=C(C1)OC(C)C)C1=NC=2C(=NC=C(C2)C(=O)O)N1 | 5 |
C1=CC(=CC=C1O)C.ClC1=C(C(=NC=C1C(=O)N1CCC(CC1)C1=CC=C(C=C1)F)S(=O)(=O)N(CC1=CC=C(C=C1)OC)CC1=CC=C(C=C1)OC)C>CN(C(C)=O)C.C(=O)([O-])[O-].[Cs+].[Cs+]>FC1=CC=C(C=C1)C1CCN(CC1)C(=O)C=1C(=C(C(=NC1)S(=O)(=O)N(CC1=CC=C(C=C1)OC)CC1=CC=C(C=C1)OC)C)OC1=CC=C(C=C1)C | 3 |
Cl.[F:2][C:3]1[CH:8]=[CH:7][C:6]([NH:9][C:10]2[CH:15]=[CH:14][N:13]=[C:12]([NH:16][C:17]3[CH:22]=[CH:21][C:20]([S:23]([Cl:26])(=[O:25])=[O:24])=[CH:19][CH:18]=3)[N:11]=2)=[CH:5][CH:4]=1.C(OC(=O)[NH:33][CH2:34][CH2:35][NH:36][CH:37]1[CH2:42][CH2:41][N:40]([CH2:43][C:44]([F:47])([F:46])[F:45])[CH2:39][CH2:38]1)(C)(C)C>>[... | 2 |
[N-]=[N+]=C.NC1=C(C(=O)O)C=CC=C1[N+](=O)[O-]>>COC(C1=C(C(=CC=C1)[N+](=O)[O-])N)=O | 5 |
[CH3:1]/[C:2](=[CH:5]\[CH2:6][CH2:7][CH2:8][CH2:9][C:10]1[C:15]([CH3:17])([CH3:16])[CH2:14][CH2:13][CH2:12][C:11]=1[CH3:18])/[CH2:3][OH:4].[CH3:19][O:20][CH:21]([O:30][CH3:31])[CH2:22][C:23]1[CH:28]=[CH:27][C:26](O)=[CH:25][CH:24]=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.N(C(OCC)=O)=NC(OCC)=O>C1COCC1>[CH3:31][O:30][CH:... | 1 |
[CH2:1]([PH:3][CH2:4][CH3:5])[CH3:2].[Li]CCCC.Cl[CH2:12][CH2:13][N:14]([CH2:19][CH2:20]Cl)[Si](C)(C)C.[Li][P:23]([CH2:26][CH3:27])[CH2:24][CH3:25]>C1COCC1.O>[CH2:1]([P:3]([CH2:4][CH3:5])[CH2:12][CH2:13][NH:14][CH2:19][CH2:20][P:23]([CH2:26][CH3:27])[CH2:24][CH3:25])[CH3:2] | 1 |
ClC=1C(=C(C(=C(C1)[C@H](C)NC(OC(C)(C)C)=O)OC)C=1C=NC(=CC1)C#N)C>O.CCO[H].[OH-].[Na+]>C(C)(C)(C)OC(=O)N[C@@H](C)C=1C(=C(C(=C(C1)Cl)C)C=1C=CC(=NC1)C(=O)O)OC | 3 |
[Br-].C[Mg+].BrC1=CC=C(C=C1)C(C=O)(CC)N1N=CC2=C(C=CC=C12)NC(OC(C)(C)C)=O>C1CCCO1>BrC1=CC=C(C=C1)C(C(C)O)(CC)N1N=CC2=C(C=CC=C12)NC(OC(C)(C)C)=O | 3 |
[CH2:1]([CH:5]([CH2:10][NH:11][CH2:12][CH2:13][C:14](O)=[O:15])[C:6](O)=[O+:7][O-])[CH2:2][CH2:3][CH3:4].[OH:17][OH:18].C(OCC)(=[O:21])C.[O:25]=[O:26]>CS(O)(=O)=O>[CH2:1]([CH:5]([CH2:10][NH:11][CH2:12][CH2:13][C:14]([O:25][OH:26])=[O:15])[C:6](=[O:7])[O+:17]([O-:21])[OH:18])[CH2:2][CH2:3][CH3:4] | 1 |
CC(C(=O)Cl)C.O1C(CCCC1)N1N=C(C2=CC(=CC=C12)C1=NN(C=N1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C=1C=C(C=CC1)N>ClCCl.c1ccncc1>N1N=C(N=C1)C=1C=C2C(=NNC2=CC1)C=1C=C(C=CC1)NC(C(C)C)=O | 3 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.