smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(C)(C)(C)[Si](C1=CC=CC=C1)(C1=CC=CC=C1)Cl.O[C@@H]([C@@H](C1=CC(=C(C(=C1)F)F)F)NC(OC(C)(C)C)=O)C>>[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)O[C@@H]([C@@H](C1=CC(=C(C(=C1)F)F)F)NC(OC(C)(C)C)=O)C | 5 |
Br[C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[CH:7][CH:6]=[N:5]2.[Cl:12][C:13]1[C:18]([CH3:19])=[C:17](Cl)[N:16]=[CH:15][N:14]=1>>[Cl:12][C:13]1[N:14]=[CH:15][N:16]=[C:17]([C:2]2[CH:3]=[C:4]3[C:9](=[CH:10][CH:11]=2)[N:8]=[CH:7][CH:6]=[N:5]3)[C:18]=1[CH3:19] | 2 |
[CH3:1][C:2]1[NH:6][C:5]2[CH:7]=[C:8]([O:12][CH2:13][CH2:14][CH2:15][C:16]([O:18][CH2:19][CH3:20])=[O:17])[CH:9]=[C:10]([CH3:11])[C:4]=2[N:3]=1.[Cl:21][C:22]1[CH:23]=[C:24]([CH2:29]Cl)[CH:25]=[CH:26][C:27]=1[Cl:28]>>[Cl:21][C:22]1[CH:23]=[C:24]([CH:25]=[CH:26][C:27]=1[Cl:28])[CH2:29][N:6]1[C:5]2[CH:7]=[C:8]([O:12][CH2:... | 2 |
C1(=CC=C(C=C1)S(=O)(=O)O)C.C(CN)N.ClC=1C=C2C(=C(NC2=CC1)C1=CC(=CC=C1)F)C#N>>ClC=1C=C2C(=C(NC2=CC1)C1=CC(=CC=C1)F)C=1NCCN1 | 5 |
N(N)C(=O)OC(C)(C)C.Cl.C(C1=CC=CC=C1)N1CC(CCC1)=O>C(C)(=O)O.ClCCCl.C(#N)[BH3-].[Na+]>C(C1=CC=CC=C1)N1CC(CCC1)NNC(=O)OC(C)(C)C | 3 |
[CH2:1]([O:3][C:4](=[O:13])[CH2:5][C:6]1[CH:11]=[CH:10][C:9]([OH:12])=[CH:8][CH:7]=1)[CH3:2]>[Rh].C(O)C>[CH2:1]([O:3][C:4](=[O:13])[CH2:5][CH:6]1[CH2:7][CH2:8][CH:9]([OH:12])[CH2:10][CH2:11]1)[CH3:2] | 1 |
ClC1=C(CN2N=C(C3=CC=C(C=C23)CC(=O)OC(C)(C)C)C)C(=CC=C1)C>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+].N([S](=O)(=O)C1=CC=CC=C1)([S](=O)(=O)C2=CC=CC=C2)F.[Cl-].[NH4+]>ClC1=C(CN2N=C(C3=CC=C(C=C23)C(C(=O)OC(C)(C)C)(F)F)C)C(=CC=C1)C | 3 |
C(C)(=O)Cl.ClC1=NC(=C(N=C1NCC)C1=CC=CC=C1)C1=CC=CC=C1>CCN(CC)CC.C1=CC=CC=C1>C(C)N1C(=NC=2C1=NC(=C(N2)C2=CC=CC=C2)C2=CC=CC=C2)C | 3 |
[C:1]([C:4]1[CH:5]=[N:6][CH:7]=[CH:8][CH:9]=1)(=[O:3])[CH3:2].CO[C:12](OC)([N:14]([CH3:16])[CH3:15])[CH3:13]>>[CH3:15][N:14]([CH3:16])[C:12]([CH3:13])=[CH:2][C:1]([C:4]1[CH:5]=[N:6][CH:7]=[CH:8][CH:9]=1)=[O:3] | 1 |
[F:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][C:6]([CH3:11])=[CH:5]2.[Br:12]Br>ClCCl>[Br:12][C:5]1[C:4]2[C:8](=[CH:9][CH:10]=[C:2]([F:1])[CH:3]=2)[NH:7][C:6]=1[CH3:11] | 2 |
[O:1]=[C:2]1[N:10]([CH2:11][CH2:12][CH3:13])[C:9]2[N:8]=[C:7]([C:14]34[CH2:21][CH2:20][C:17]([CH:22]=O)([CH2:18][CH2:19]3)[CH2:16][CH2:15]4)[NH:6][C:5]=2[C:4](=[O:24])[N:3]1[CH2:25][CH2:26][CH3:27].Cl.[NH2:29][OH:30].CC([O-])=O.[Na+]>CO.O>[O:1]=[C:2]1[N:10]([CH2:11][CH2:12][CH3:13])[C:9]2[N:8]=[C:7]([C:14]34[CH2:15][CH... | 1 |
C(C1=CC=CC=C1)OC(=O)N1[C@H]([C@@]2([C@](C=3C=C(C=CC13)OC)(C(OC2)=O)OCC2=CC=C(C=C2)OC)OCC2=CC=C(C=C2)OC)C2=C(C=CC=C2)Br>C1CCCO1.C(CCC)[Li].[Cl-].[NH4+]>OC[C@@]1([C@@H]2C3=C(C([C@]1(C1=C(N2C(=O)OCC2=CC=CC=C2)C=CC(=C1)OC)OCC1=CC=C(C=C1)OC)=O)C=CC=C3)OCC3=CC=C(C=C3)OC | 3 |
BrC=1C=C(CBr)C=CC1.FC(F)(F)SC1=CC=C(C=C1)C1=NOC(=N1)C=1C=CC(NC1)=O>N(C)(C)C=O.[H-].[Na+]>BrC=1C=C(CN2C(C=CC(=C2)C2=NC(=NO2)C2=CC=C(C=C2)SC(F)(F)F)=O)C=CC1 | 3 |
ClC=1C=C(N)C=CC1Cl.FC1=CC2=C(NC(N=C2)=O)C=N1>N(C)(C)C=O.ClS(Cl)=O.CN(C(C)=O)C>ClC=1C=C(C=CC1Cl)NC=1C2=C(N=CN1)C=NC(=C2)F | 3 |
C1(CCCCC1)NC1=C2N=CN(C2=NC(=N1)NC1=CC=C(OCCCCCCC(=O)O)C=C1)C1OCCCC1>N(C)(C)C=O.O.CCN(CC)CC.C(C)(=O)OCC.Cl.C(C)N=C=NCCCN(C)C.O.ON1N=NC2=C1C=CC=C2.NOC1OCCCC1>C1(CCCCC1)NC1=C2N=CN(C2=NC(=N1)NC1=CC=C(OCCCCCCC(=O)NOC2OCCCC2)C=C1)C1OCCCC1 | 3 |
ClC=1C=CC2=C([C@H](S[C@@H](C(N2)=O)CC(=O)OC(C)C)C2=C(C(=CC=C2)OC)Cl)C1>C1(=CC=CC=C1)C.COC=1C=CC(=CC1)P2(=S)SP(=S)(S2)C=3C=CC(=CC3)OC>ClC=1C=CC2=C([C@H](S[C@@H](C(N2)=S)CC(=O)OC(C)C)C2=C(C(=CC=C2)OC)Cl)C1 | 3 |
[CH2:1]([O:8][C:9]([N:11]1[CH2:15][CH2:14][CH:13]([O:16][CH3:17])[CH:12]1[C:18](O)=[O:19])=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.CSC>C1COCC1>[CH2:1]([O:8][C:9]([N:11]1[CH2:15][CH2:14][CH:13]([O:16][CH3:17])[CH:12]1[CH2:18][OH:19])=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 2 |
[N+:1]([C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1[S:10](Cl)(=[O:12])=[O:11])([O-:3])=[O:2].[CH3:14][S:15][C:16]1[CH:22]=[CH:21][C:19]([NH2:20])=[CH:18][CH:17]=1.N1C=CC=CC=1>C(Cl)Cl>[CH3:14][S:15][C:16]1[CH:22]=[CH:21][C:19]([NH:20][S:10]([C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[N+:1]([O-:3])=[O:2])(=[O:12])=[O:11])=[CH:18]... | 2 |
C(C)(=O)N1CCC(CC1)OC1=C(C=C(N)C=C1)Cl>>ClC=1C=C(N)C=CC1OC1CCN(CC1)CC | 5 |
[CH3:1][N:2]([CH3:12])[C:3]1[CH:11]=[CH:10][C:6]([C:7]([OH:9])=[O:8])=[CH:5][CH:4]=1.C1CCC(N=C=NC2CCCCC2)CC1.[CH3:28][S:29]([O:32][C:33]1[CH:38]=[CH:37][C:36]([C:39](=[NH:41])[NH2:40])=[CH:35][C:34]=1[C:42](=[O:49])[C:43]1[CH:48]=[CH:47][CH:46]=[CH:45][CH:44]=1)(=[O:31])=[O:30]>N1C=CC=CC=1>[CH3:28][S:29]([OH:32])(=[O:3... | 1 |
ClC1=C(C=C(C=C1)N=C=O)C(F)(F)F.BrC1=C(N(N=C1)C)C=1C=C(C=CC1OC)N>>BrC1=C(N(N=C1)C)C=1C=C(C=CC1OC)NC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F | 5 |
[F:1][C:2]([F:39])([F:38])[C:3]1[CH:4]=[C:5]([C@H:13]2[O:17][C:16](=[O:18])[N:15]([CH2:19][C:20]3[CH:25]=[C:24]([C:26]([F:29])([F:28])[F:27])[CH:23]=[CH:22][C:21]=3[C:30]3[S:31][CH:32]=[C:33]([CH:35]=[O:36])[N:34]=3)[C@H:14]2[CH3:37])[CH:6]=[C:7]([C:9]([F:12])([F:11])[F:10])[CH:8]=1.[CH3:40][Mg+].[Br-]>CCOCC>[F:39][C:2... | 1 |
[C:1]([C@H:5]1[C@@H:11]([OH:12])[CH2:10][C@H:9]2[N:13]([CH3:14])[C@@H:6]1[CH2:7][CH2:8]2)([O:3][CH3:4])=[O:2].N1C=CN=C1.[Si:20](Cl)([C:23]([CH3:26])([CH3:25])[CH3:24])([CH3:22])[CH3:21].O>CN(C=O)C>[Si:20]([O:12][C@H:11]1[CH2:10][C@H:9]2[N:13]([CH3:14])[C@H:6]([CH2:7][CH2:8]2)[C@H:5]1[C:1]([O:3][CH3:4])=[O:2])([C:23]([C... | 1 |
CB(O)O.C(C)(C)(C)OC(NC1CCN(CC1)C1=C2C(=NC(=N1)Cl)N(N=C2)C)=O>O.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.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]>C(C)(C)(C)OC(NC1CCN(CC1)C1=C2C(=NC(=N1)C)N(N=C2)C)=O | 3 |
[F:1][C:2]([F:6])([F:5])[CH2:3][NH2:4].[CH3:7][S:8][C:9]1[N:14]=[C:13](SC)[C:12]2=[N:17][CH:18]=[C:19]([C:20]#[N:21])[N:11]2[N:10]=1>CN1C(=O)CCC1.C(OCC)(=O)C>[CH3:7][S:8][C:9]1[N:14]=[C:13]([NH:4][CH2:3][C:2]([F:6])([F:5])[F:1])[C:12]2=[N:17][CH:18]=[C:19]([C:20]#[N:21])[N:11]2[N:10]=1 | 1 |
[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][N:6]1[CH2:11][CH2:10][CH:9]([C:12]2[CH:13]=[C:14]([NH:18][C:19](=[O:23])[CH:20]([CH3:22])[CH3:21])[CH:15]=[CH:16][CH:17]=2)[CH2:8][CH2:7]1.[Cl:24][C:25]1[CH:40]=[CH:39][C:28]([O:29][C:30]2[N:38]=[CH:37][CH:36]=[CH:35][C:31]=2[C:32](Cl)=[O:33])=[CH:27][CH:26]=1>C1COCC1.C(Cl)Cl>[Cl:24]... | 1 |
N[C@H](C(=O)N)[C@@H](C)O.C(C1=CC=CC=C1)OC(=O)N1C(CCC1)C(=O)N1[C@](CCC1)(C(=O)O)CC1=CC(=CC=C1)OC>>NC([C@H]([C@@H](C)O)NC(=O)C1(N(CCC1)C(=O)[C@H]1N(CCC1)C(=O)OCC1=CC=CC=C1)CC1=CC(=CC=C1)OC)=O | 5 |
BrC1=NC=CC=C1.CC1(OB(OC1(C)C)C1=CC=C(N)C=C1)C>O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2].O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+]>N1=C(C=CC=C1)C1=CC=C(N)C=C1 | 3 |
BrC1=CC(=C(C=C1F)N)C>C(Cl)(Cl)(Cl)[H].C(C)(=O)OC(C)=O.N(=O)OCCC(C)C.C(C)(=O)[O-].[K+].C1COCCOCCOCCOCCOCCO1>BrC=1C=C2C=NN(C2=CC1F)C(C)=O | 3 |
[CH3:1][C:2]1[O:6][N:5]=[C:4]([C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=2)[C:3]=1[CH2:13][O:14][C:15]1[CH:23]=[CH:22][C:18]([C:19]([OH:21])=O)=[CH:17][N:16]=1.Cl.[O:25]1[CH2:30][CH2:29][CH2:28][CH:27]([CH2:31][NH2:32])[CH2:26]1>>[CH3:1][C:2]1[O:6][N:5]=[C:4]([C:7]2[CH:8]=[CH:9][CH:10]=[CH:11][CH:12]=2)[C:3]=1[CH2:13][O... | 1 |
C1(=CC=CC=C1)[C@H](C)N.FC(C(C)=O)(C(F)(F)F)F>C(C)OCC.C1CCCCC1.CCN(CC)CC.[Ti](Cl)(Cl)(Cl)Cl>FC(C(C)=N[C@@H](C)C1=CC=CC=C1)(C(F)(F)F)F | 3 |
ClC=1C=CN2N=C(N(C(C21)=O)C2=CC=CC=C2)[C@H]2N(CS(C2)=O)C2=C1N=CN(C1=NC=N2)C2OCCCC2>Cl.C(O)([O-])=O.[Na+]>ClC=1C=CN2N=C(N(C(C21)=O)C2=CC=CC=C2)[C@H]2N(CS(C2)=O)C2=C1N=CNC1=NC=N2 | 3 |
CN1C(NC=2C(C1=O)=C(N(N2)CC2=CC=CC1=CC=CC=C21)C2=CC=NC=C2)=O.ClCC1=C(C=CC=C1)C>C([O-])([O-])=O.[K+].[K+]>CN1C(N(C=2C(C1=O)=C(N(N2)CC2=CC=CC1=CC=CC=C21)C2=CC=NC=C2)CC2=C(C=CC=C2)C)=O | 3 |
C([O:5][C:6]([NH:8][C@H:9]([C:11]([NH:13][C:14]1[CH:19]=[CH:18][C:17]([C:20]2[N:25]=[C:24]([OH:26])[C:23]([C:27]([OH:29])=[O:28])=[CH:22][N:21]=2)=[CH:16][CH:15]=1)=[O:12])[CH3:10])=O)(C)(C)C.N1C=CC=[CH:32][CH:31]=1.C(OC(=O)CC)(=O)CC>CO>[C:6]([NH:8][C@H:9]([C:11]([NH:13][C:14]1[CH:15]=[CH:16][C:17]([C:20]2[N:25]=[C:24]... | 1 |
C[Mg]Br.CC[O:6][CH2:7][CH3:8].[Cl:9][C:10]1[N:21]=[C:20]([Cl:22])[CH:19]=[CH:18][C:11]=1C(N(OC)C)=O>C1COCC1>[Cl:22][C:20]1[C:19]([C:7](=[O:6])[CH3:8])=[CH:18][CH:11]=[C:10]([Cl:9])[N:21]=1 | 2 |
C(C)(=O)OC(C)=O.COC(=O)C=1N=C(SC1)NC([C@H]([C@@H](C)C1=CC=CC=C1)NC([C@H](NC(=O)OC(C)(C)C)C1=CC=C(C=C1)N)=O)=O>ClCCl.CCN(CC)CC>COC(=O)C=1N=C(SC1)NC([C@H]([C@@H](C)C1=CC=CC=C1)NC([C@H](NC(=O)OC(C)(C)C)C1=CC=C(C=C1)NC(C)=O)=O)=O | 3 |
C(C)(=O)OC=1C=C(C2=COC3=C(C(=CC=C3C2=O)OC(C)=O)C)C=CC1>>C(C)(=O)OC=1C=C(C2COC3=C(C(=CC=C3C2O)OC(C)=O)C)C=CC1 | 5 |
CN(C=CC(=O)C=1C=C(C=CC1)NC(C1=CC(=CC=C1)C(F)(F)F)=O)C.C(C)OC(=O)C=1C(=NNC1N)C>C(C)(=O)O>CC1=NN2C(N=CC=C2C2=CC(=CC=C2)NC(C2=CC(=CC=C2)C(F)(F)F)=O)=C1C(=O)OCC | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C(#N)C=1C=C(C=CC1)N1N=C(C=C1C(=O)NC1=CC(=CC=C1)C(C1=CC(=CC=C1)OC)NCC1CC1)C(F)(F)F>O.CO[H].ClCCl.[Na+].[BH4-].Cl[Ni]Cl.NCCNCCN>C1(CC1)CNC(C=1C=C(C=CC1)NC(=O)C1=CC(=NN1C=1C=C(CNC(OC(C)(C)C)=O)C=CC1)C(F)(F)F)C1=CC(=CC=C1)OC | 3 |
[C:1]1(=[O:7])[O:6][C:4](=[O:5])[CH:3]=[CH:2]1.[CH:8]12[CH2:14][CH:11]([CH:12]=[CH:13]1)[CH:10]([C:15]([O-:17])=[O:16])[CH:9]2[C:18]([O:20][CH2:21][C:22]([CH2:27][CH3:28])([CH2:25][OH:26])[CH2:23][CH3:24])=[O:19].[CH:29]12[CH2:35][CH:32]([CH:33]=[CH:34]1)[CH2:31][CH:30]2[C:36]([O:38][C:39]([CH3:42])([CH3:41])[CH3:40])=... | 1 |
C(N1CCN(C(=O)C(C2C3C(=C(OC)N=CC=3OC)NC=2)=O)CC1)(=[O:8])C1C=CC=CC=1.C(N1CCN([C:46](=[O:58])[C:47]([C:49]2[C:57]3[C:52](=[N:53][CH:54]=[CH:55][CH:56]=3)[NH:51][CH:50]=2)=[O:48])[C@H](C)C1)(=O)C1C=CC=CC=1.COC1C=NC(OC)=C2C=1C(C(=O)C([O-])=O)=CN2.[K+:78]>>[NH:51]1[C:52]2[C:57](=[CH:56][CH:55]=[CH:54][N:53]=2)[C:49]([C:47](... | 1 |
C(C)(C)(C)OC(N[C@@H]([C@@H](C)C1CCC(CC1)N(C)CC1=CC=CC=C1)C(=O)N1C[C@H](CC1)F)=O>CO[H].O.O.[Pd].[HH]>C(C)(C)(C)OC(N[C@@H]([C@@H](C)C1CCC(CC1)NC)C(=O)N1C[C@H](CC1)F)=O | 3 |
[CH3:1][C:2]1[C:10]([C:11]#[N:12])=[C:5]2[NH:6][CH2:7][CH2:8][CH2:9][N:4]2[N:3]=1.[OH-:13].[NH4+]>S(=O)(=O)(O)O>[CH3:1][C:2]1[C:10]([C:11]([NH2:12])=[O:13])=[C:5]2[NH:6][CH2:7][CH2:8][CH2:9][N:4]2[N:3]=1 | 1 |
N1([NH:7][C:8]([C:10]2[CH:40]=[CH:39][C:13]3[N:14]([CH:33]4[CH2:38][CH2:37][CH2:36][CH2:35][CH2:34]4)[C:15]([C:17]4[CH:18]=[C:19]5[C:24](=[CH:25][CH:26]=4)[N:23]=[C:22]([C:27]4[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=4)[CH:21]=[N:20]5)=[N:16][C:12]=3[CH:11]=2)=[O:9])CCOCC1.N[C:42]1[CH:51]=[C:50]2[C:45]([C:46]([CH3:53])=[C... | 1 |
[F:1][C:2]([F:33])([F:32])[C:3]1[CH:4]=[C:5]([CH:25]=[C:26]([C:28]([F:31])([F:30])[F:29])[CH:27]=1)[C:6]([N:8]1[CH2:13][CH2:12][NH:11][CH2:10][C@H:9]1[CH2:14][C:15]1[CH:24]=[CH:23][C:22]2[C:17](=[CH:18][CH:19]=[CH:20][CH:21]=2)[CH:16]=1)=[O:7].Br[CH2:35][CH2:36][CH2:37][OH:38].C(=O)([O-])[O-].[K+].[K+]>CN(C)C=O.C(OCC)(... | 1 |
[Si](C)(C)(C(C)(C)C)OCC=O.N[C@H]1CC[C@H](CC1)N1C(N(C2=C(C1=O)C=C(C=N2)F)C=2C=C(C=CC2)C2=CC=CC=C2)=O>>C1(=CC(=CC=C1)N1C(N(C(C2=C1N=CC(=C2)F)=O)[C@@H]2CC[C@@H](CC2)NCCO)=O)C2=CC=CC=C2 | 5 |
CS(=O)(=O)CC1=CC(=CC(=C1)C(F)(F)F)[N+](=O)[O-]>>CS(=O)(=O)CC=1C=C(N)C=C(C1)C(F)(F)F | 5 |
OCC(C#N)(C)C>C1CCCO1.CCN(CC)CC.Cl.NO>ON=C(C(CO)(C)C)N | 3 |
BrC1=NC=C(C=C1)OC.C(C)(=O)NC1=NC=CC(=C1)C#CC1=NC=CC(=C1NC(C(F)(F)F)=O)OC>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+].Nc1ccccc1-c2ccccc2[Pd]Cl.Nc3ccccc3-c4ccccc4[Pd]Cl.CC(C)c5cc(C(C)C)c(-c6cccc(c6)P(C7CCCCC7)C8CCCCC8)c(c5)C(C)C.CC(C)c9cc(C(C)C)c(c(c9)C(C)C)-c%10ccccc%10P(C%11CCCCC%11)C%12CCCCC%12>COC1=C2C(=NC=C1)C(=C(N2)C2=C... | 3 |
C(C1=CC=CC=C1)N1C(N2C(C=C1C(F)(F)F)=NC(=C2)C2=NC=C(C=C2S(=O)(=O)CC)N=S(=O)(C)C)=O>[Pd].C(=O)[O-].[NH4+]>CS(=O)(C)=NC=1C=C(C(=NC1)C=1N=C2N(C(NC(=C2)C(F)(F)F)=O)C1)S(=O)(=O)CC | 3 |
C1(COCC(=O)O1)=O.C(=O)(OC(C)(C)C)NCCCN>CN(C(C)=O)C.CN1CCOCC1>C(C)(C)(C)OC(NCCCN1C(COCC1=O)=O)=O | 3 |
[F:1][C:2]([F:23])([Cu])[C:3]([F:21])([F:20])[C:4]([F:19])([F:18])[C:5]([F:17])([F:16])[C:6]([F:15])([F:14])[C:7]([F:13])([F:12])[C:8]([F:11])([F:10])[F:9].[CH2:24](Br)[C:25]#[CH:26]>>[F:1][C:2]([F:23])([CH:24]=[C:25]=[CH2:26])[C:3]([F:21])([F:20])[C:4]([F:19])([F:18])[C:5]([F:17])([F:16])[C:6]([F:15])([F:14])[C:7]([F:... | 1 |
C(C1=CC=CC=C1)OC=1C=C2C(=CC(OC2=CC1)=O)O>O.C(Cl)(Cl)(Cl)[H].[OH-].[Na+].[N+](=O)(O)[O-].C1=CC=CC=C1>O.OC1=CC(OC2=CC(=CC=C12)O)=O | 3 |
CI.BrC1=NN(C(=C1)N1[C@H](CCC1)CO)C>>BrC1=NN(C(=C1)N1[C@H](CCC1)COC)C | 5 |
[CH3:1][N:2]1[CH2:7][CH2:6][C:5]2[N:8]=[C:9]([NH2:11])[S:10][C:4]=2[CH2:3]1.C(N(CC)C(C)C)(C)C.[C:21]([C:23]1[CH:24]=[C:25]([NH:29][C:30]([CH2:32][O:33][C:34]2[CH:35]=[C:36]([CH:40]=[CH:41][CH:42]=2)[C:37](O)=[O:38])=[O:31])[CH:26]=[CH:27][CH:28]=1)#[N:22]>CN(C)C=O.O>[C:21]([C:23]1[CH:24]=[C:25]([NH:29][C:30]([CH2:32][O... | 1 |
ClC(=O)OC1=CC=C(C=C1)[N+](=O)[O-].C1(CCC1)OC1=CC=C(C=N1)N>C1(=CC=CC=C1)C.C(=O)([O-])[O-].[Ca+2]>[N+](=O)([O-])C1=CC=C(C=C1)OC(NC=1C=NC(=CC1)OC1CCC1)=O | 3 |
IC1=CC=C(C=C1)[N+](=O)[O-].CC1(OB(OC1(C)C)C1=CC=C(C=C1)C12COC(CC1)(CC2)CC(=O)OC)C>COCCOC.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].ClCCl.[Pd](Cl)Cl.C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]>[N+](=O)([O-])C1=CC=C(C=C1)C1=CC=C(C=C1)C12COC(CC1)(CC2... | 3 |
COC1=CC=C(C=C1)[C@@H](C)N.O=C1C(CCC=2C=CC=NC12)CCC(=O)OCC>>COC1=CC=C(C=C1)[C@@H](C)N[C@@H]1[C@@H](CCC=2C=CC=NC12)CCC(=O)OCC | 5 |
C1(=CC=CC=C1)[Mg]Br.CON(C(CCC1=CC=NC=C1)=O)C>C1CCCO1>C1(=CC=CC=C1)C(CCC1=CC=NC=C1)=O | 3 |
O.C(=O)(OC(C)(C)C)N[C@@H](CC(C)C)C(=O)O.C[Si](C)(C)C#C[C@H]1CC[C@H](N1)C(=O)OC>>C(C)(C)(C)OC(=O)N[C@@H](CC(C)C)C(=O)N1[C@H](C(=O)OC)CC[C@@H]1C#C[Si](C)(C)C | 5 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([S:10][CH2:11][CH3:12])=[C:6]([CH2:8][NH2:9])[CH:7]=1.[NH2:13][C:14]1[C:22]([Br:23])=[CH:21][C:20]([CH3:24])=[CH:19][C:15]=1[C:16](O)=[O:17].BrC1C(C)=CC(C(NNC2C=C(Cl)C=CC=2SCC)=O)=C([N+]([O-])=O)C=1>C(N(CC)CC)C>[NH2:13][C:14]1[C:22]([Br:23])=[CH:21][C:20]([CH3:24])=[CH:19][C:15]=1[C:16]([... | 2 |
C(CC)=O.Cl.CN1N=CC(=C1)C1=CC=2N(C(=N1)C=1C=NN(C1)C1(CNC1)CC#N)C=CN2>CC#N.CCN(CC)CC.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>CN1N=CC(=C1)C1=CC=2N(C(=N1)C=1C=NN(C1)C1(CN(C1)CCC)CC#N)C=CN2 | 3 |
BrCCC(=O)N1C(CC(C=C1)=O)C1=CC=C(C=C1)F>>FC1=CC=C(C=C1)C1N2C(CCC2CC(C1)=O)=O | 5 |
ClC1=C(C(=NN1C)C)C(=O)NC1=CC=CC=C1>CCO[H].[HH].[Pd].C(C)(=O)[O-].[Na+]>CN1N=C(C(=C1)C(=O)NC1=CC=CC=C1)C | 3 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][N:11]([CH2:14][C:15]2[NH:16][C:17](=[O:30])[C:18]3[C:23]([CH3:24])=[C:22]([C:25]([O:27]CC)=[O:26])[S:21][C:19]=3[N:20]=2)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].Cl>[OH-].[Na+]>[C:1]([O:5][C:6]([N:8]1[CH2:9][CH2:10][N:11]([CH2:14][C:15]2[NH:16][C:17](=[O:30])[C:18]3[C:23... | 1 |
[Br:1][C:2]1[CH:3]=[CH:4][C:5]2[CH2:11][N:10]([C:12]3[CH:21]=[C:20](Cl)[C:19]4[C:14](=[CH:15][CH:16]=[C:17]([Cl:23])[CH:18]=4)[N:13]=3)[CH2:9][CH2:8][CH2:7][C:6]=2[CH:24]=1.[CH2:25]([NH2:28])[CH2:26][NH2:27]>>[Br:1][C:2]1[CH:3]=[CH:4][C:5]2[CH2:11][N:10]([C:12]3[CH:21]=[C:20]([NH:27][CH2:26][CH2:25][NH2:28])[C:19]4[C:1... | 1 |
C(C)(=O)NCC(=O)N(CC1=CC=C(C=C1)F)CC(OC)OC>>C(C)(=O)N1CC(N(C=C1)CC1=CC=C(C=C1)F)=O | 5 |
NC(CCC(=O)OC(C)(C)C)CC1=CC(=CC=C1)OC>CCO[H].[OH-].[Na+].O1CCOCC1.C(C)(=O)OC(C)=O>C(C)(=O)NC(CCC(=O)OC(C)(C)C)CC1=CC(=CC=C1)OC | 3 |
C([O:5][CH2:6][CH:7]([O:9][C:10]1[C:19]2[C:14](=[CH:15][C:16]([O:20][CH3:21])=[CH:17][CH:18]=2)[N:13]=[CH:12][CH:11]=1)[CH3:8])(C)(C)C>C(O)(C(F)(F)F)=O>[CH3:21][O:20][C:16]1[CH:15]=[C:14]2[C:19]([C:10]([O:9][CH:7]([CH3:8])[CH2:6][OH:5])=[CH:11][CH:12]=[N:13]2)=[CH:18][CH:17]=1 | 1 |
C(C)(=O)Cl.C(N)(=O)C=1N=CC(=C2C1NC=C2)N(C2CN(C2)C(=O)OC(C)(C)C)C>CO[H].ClCCl>Cl.N1CC(C1)N(C1=C2C(=C(N=C1)C(=O)N)NC=C2)C | 3 |
ClCC(=O)Cl.NC(CO)CC>>ClCC(=O)NC(CO)CC | 5 |
ClC1=NC=C(C(=O)Cl)C=C1.FC1=CC=C(NC)C=C1>N(C)(C)C=O.C1CCC2=NCCCN2CC1>ClC1=NC=C(C(=O)N(C)C2=CC=C(C=C2)F)C=C1 | 3 |
C(C1=CC=CC=C1)(=O)N.C(C1=CC=CC=C1)OCC(C(C(=O)[O-])=[N+]=[N-])=O>>C(C1=CC=CC=C1)(=O)NC(C(=O)OCC)C(COCC1=CC=CC=C1)=O | 5 |
Br[C:2]1[CH:3]=[C:4]([S:12]([NH2:15])(=[O:14])=[O:13])[CH:5]=[C:6]([CH:10]=[O:11])[C:7]=1[O:8][CH3:9].[NH2:16][C:17]1[CH:18]=[C:19](B(O)O)[CH:20]=[CH:21][CH:22]=1>>[NH2:16][C:17]1[CH:22]=[C:21]([C:2]2[C:7]([O:8][CH3:9])=[C:6]([CH:10]=[O:11])[CH:5]=[C:4]([S:12]([NH2:15])(=[O:14])=[O:13])[CH:3]=2)[CH:20]=[CH:19][CH:18]=1 | 1 |
[NH2:1][CH2:2][CH2:3][CH2:4][O:5][C:6]1[CH:7]=[CH:8][C:9]2[CH2:15][CH:14]([CH2:16][C:17]([O:19][CH2:20][CH3:21])=[O:18])[C:13]3[CH:22]=[CH:23][CH:24]=[CH:25][C:12]=3[CH2:11][C:10]=2[CH:26]=1.C(=O)(O)[O-].[Na+].Br[C:33]1[N:38]=[CH:37][CH:36]=[CH:35][N:34]=1>C(O)C>[N:34]1[CH:35]=[CH:36][CH:37]=[N:38][C:33]=1[NH:1][CH2:2]... | 1 |
N[C@@H]1CC[C@H](CC1)O.ClC1=NC2=CC(=C(C=C2C=N1)OC1CCCC1)OC>>C1(CCCC1)OC=1C=C2C=NC(=NC2=CC1OC)NC1(CCCCC1)O | 5 |
[N+](=O)([O-])C=1C=C(C(=O)Cl)C=CC1.ON=C(CC)N>C1CCCO1.ClCCl.C(C)(=O)OCC.C(C)(C)N(C(C)C)CC.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>C(C)C1=NOC(=N1)C1=CC(=CC=C1)[N+](=O)[O-] | 3 |
Cl[C:2]1[N:7]=[CH:6][CH:5]=[CH:4][N:3]=1.[CH2:8]([NH2:12])[CH2:9][CH2:10][NH2:11]>C1(C)C=CC=CC=1>[N:3]1[CH:4]=[CH:5][CH:6]=[N:7][C:2]=1[NH:11][CH2:10][CH2:9][CH2:8][NH2:12] | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[CH:8]=[C:7]([SH:12])[CH:6]=[CH:5]2.[C:13]([O:18][CH2:19][CH3:20])(=[O:17])[C:14]([CH3:16])=[CH2:15].[O-]CC.[Na+]>C(O)C>[Cl:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[CH:8]=[C:7]([S:12][CH2:15][CH:14]([CH3:16])[C:13]([O:18][CH2:19][CH3:20])=[O:17])[CH:6]=[CH:5]2 | 2 |
[CH3:1][N:2]1[CH2:7][CH2:6][N:5]([C:8]2[CH:14]=[CH:13][C:11]([NH2:12])=[CH:10][CH:9]=2)[CH2:4][CH2:3]1.[CH2:15]([N:18]1[C:26](=[O:27])[C:25]2[C:20](=[N:21][C:22](SC)=[N:23][CH:24]=2)[N:19]1[C:30]1[CH:35]=[C:34]([N:36]2[CH:41]=[CH:40][CH:39]=[CH:38][C:37]2=[O:42])[CH:33]=[C:32]([F:43])[CH:31]=1)[CH:16]=[CH2:17]>>[CH2:15... | 1 |
[C:1]([NH:8][C@H:9]([C:17]([OH:19])=[O:18])[CH2:10][C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])=[O:2].C(Cl)CCl.C(N(CC)CC)C.[C:31]12([CH2:41]O)[CH2:40][CH:35]3[CH2:36][CH:37]([CH2:39][CH:33]([CH2:34]3)[CH2:32]1)[CH2:38]2>ClCCl.CN(C1C=CN=CC=1)C>[C:4]([O:3][C:1]([NH:8][C@H:9]([C:17]... | 1 |
BrC1=CC=C(C=C1)[C@H](C)N1C(O[C@@](CC1)(CC(C)(C)O)C1=CC=C(C=C1)F)=O>>FC1=CC=C(C=C1)[C@]1(CCN(C(O1)=O)[C@@H](C)C1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C)CC(C)(C)O | 5 |
[Cl:1][C:2]1[CH:3]=[C:4]([NH:19][C:20]2[C:30]3[CH:29]=[C:28]([CH2:31]O)[CH2:27][CH2:26][NH:25][C:24]=3[N:23]=[CH:22][N:21]=2)[CH:5]=[CH:6][C:7]=1[O:8][C:9]1[CH:14]=[CH:13][CH:12]=[C:11]([C:15]([F:18])([F:17])[F:16])[CH:10]=1.CS([CH2:37][CH2:38][NH:39]S(C1C=CC=CC=1[N+]([O-])=O)(=O)=O)(=O)=O.C(P(=CC#N)(CCCC)CCCC)CCC>C1(C... | 2 |
CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OC.COC(=O)C1=C(N(C(C(=C1)Br)=O)CC1CCCCC1)CBr>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].[I-].[Na+]>COC(=O)C1=C(N(C(C(=C1)Br)=O)CC1CCCCC1)CN(S(=O)(=O)C1=CC=C(C=C1)C)CC(=O)OC | 3 |
[CH2:1]([C@H:8]1[CH2:12][O:11][C:10](=[O:13])[NH:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(O)(C)(C)C.C([Li])CCC.CCCCCC.[CH3:30][O:31][C:32]1[C:40]([CH3:41])=[C:39]2[C:35]([C:36](=[O:42])[O:37][CH2:38]2)=[C:34]([O:43]COCCOC)[C:33]=1[CH2:50][CH2:51][CH:52]([CH3:67])[CH2:53][C@H:54](C)[C:55](N1[C@H](C(C)C)COC1=O)=[O:... | 1 |
C(C)(=O)C(C1=C(C=CC=C1)/C(/C(=O)OC)=C\C)OC1=C(C=CC(=C1)C)C>O1CCOCC1>C(=O)(O)C1=CC(=C(OCC2=C(C=CC=C2)/C(/C(=O)OC)=C\C)C=C1C)C | 3 |
[CH3:1][S:2]1(=[O:14])[C:7]2[CH:8]=[C:9]([NH2:12])[CH:10]=[CH:11][C:6]=2[N:5]=[C:4]([CH3:13])[N:3]=1.N1C=CC=CC=1.[CH3:21][S:22](Cl)(=[O:24])=[O:23]>C(Cl)Cl>[CH3:1][S:2]1(=[O:14])[C:7]2[CH:8]=[C:9]([NH:12][S:22]([CH3:21])(=[O:24])=[O:23])[CH:10]=[CH:11][C:6]=2[N:5]=[C:4]([CH3:13])[N:3]=1 | 2 |
[F:1][C:2]1[CH:7]=[C:6]([N+:8]([O-])=O)[CH:5]=[CH:4][C:3]=1[NH:11][C:12]1[C:21]2[C:16](=[CH:17][C:18]([O:24][CH3:25])=[C:19]([O:22][CH3:23])[CH:20]=2)[N:15]=[CH:14][N:13]=1.[Cl-].[NH4+]>CO.O.[Fe]>[CH3:23][O:22][C:19]1[CH:20]=[C:21]2[C:16](=[CH:17][C:18]=1[O:24][CH3:25])[N:15]=[CH:14][N:13]=[C:12]2[NH:11][C:3]1[CH:4]=[C... | 2 |
BrC1=CC(=NC(=C1)C)C(F)F.BrC=1C=C(C=CC1)/C(=N\S(=O)C(C)(C)C)/C1=C(C(=CC=C1)F)C#N>C1CCCO1.C(CCC)[Li]>BrC=1C=C(C=CC1)C1(N=C(C2=C(C=CC=C12)F)N)C1=CC(=NC(=C1)C)C(F)F | 3 |
[F:1][C:2](=[C:10]([F:12])[F:11])[CH2:3][CH2:4][CH:5]([OH:9])[CH2:6][CH2:7]O.[OH-].[Na+].[C:15]1([N:21]2[C:25]([SH:26])=[N:24][N:23]=[N:22]2)[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1.O>C1(C)C=CC=CC=1.[Br-].C([N+](CCCC)(CCCC)CCCC)CCC>[F:1][C:2](=[C:10]([F:12])[F:11])[CH2:3][CH2:4][CH:5]([OH:9])[CH2:6][CH2:7][S:26][C:25]1[... | 1 |
BrC=1C(=CC(=NC1)NC(OC(C)(C)C)=O)C>O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.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].C(C)(=O)[O-].[K+]>C(C)(C)(C)OC(=O)NC1=CC(=C(C=N1)B(O)O)C | 3 |
[F:1][C:2]1[CH:3]=[C:4]([O:9][CH3:10])[CH:5]=[C:6]([F:8])[CH:7]=1.[N+:11]([O-])([OH:13])=[O:12].O.C(OCC)(=O)C>ClCCl>[F:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[C:4]([O:9][CH3:10])[C:3]=1[N+:11]([O-:13])=[O:12] | 1 |
C([S:4][CH2:5][CH:6]([CH2:10][CH2:11][CH2:12][NH2:13])[C:7]([OH:9])=[O:8])(=O)C>O.N>[NH2:13][CH2:12][CH2:11][CH2:10][CH:6]([CH2:5][SH:4])[C:7]([OH:9])=[O:8] | 1 |
C(CCC)C1=CC=C(CN)C=C1.COC(C1=C(C=CC=C1I)CBr)=O>C1(=CC=CC=C1)C.C([O-])([O-])=O.[K+].[K+].CCCCCC>IC=1C=CC=C2CN(C(C12)=O)CC1=CC=C(C=C1)CCCC | 3 |
[Cl:1][C:2]1[CH:7]=[C:6]([N:8]2[CH2:13][CH2:12][O:11][CH2:10][CH2:9]2)[N:5]=[C:4](N)[N:3]=1.[I:15]CI.N(OCCC(C)C)=O>O1CCCC1.[Cu]I>[Cl:1][C:2]1[N:3]=[C:4]([I:15])[N:5]=[C:6]([N:8]2[CH2:13][CH2:12][O:11][CH2:10][CH2:9]2)[CH:7]=1 | 2 |
Cl.Cl.N1(CCNCC1)C1=C2C(=NC=N1)NN=C2.C(C)(C)(C)OC(=O)NCCC(C(=O)O)C1=C(C=CC=C1)Cl>>Cl.Cl.NCCC(C(=O)N1CCN(CC1)C1=C2C(=NC=N1)NN=C2)C2=C(C=CC=C2)Cl | 5 |
[NH2:1][C:2]1[N:7]=[CH:6][N:5]=[C:4]2[N:8]([CH:12]([C:14]3[C:15]([O:32][CH3:33])=[C:16]([CH:22]4[CH2:25][N:24]([C@H:26]([CH3:31])[C:27]([O:29]C)=[O:28])[CH2:23]4)[C:17]([CH3:21])=[C:18]([Cl:20])[CH:19]=3)[CH3:13])[N:9]=[C:10]([CH3:11])[C:3]=12.[OH-].[Li+]>C(#N)C.O.C(OCC)(=O)C.Cl>[NH2:1][C:2]1[N:7]=[CH:6][N:5]=[C:4]2[N:... | 1 |
NC1=C(C(=O)O)C(=CC=C1)Cl.COC(C(OCC)OCC)=N>>ClC1=C2C(NC(=NC2=CC=C1)C(OCC)OCC)=O | 5 |
C([O:3][C:4]([C:6]1[N:7]([CH2:21][CH3:22])[CH:8]=[C:9]([C:11]#[C:12][C:13]2[CH:18]=[CH:17][CH:16]=[C:15]([O:19][CH3:20])[CH:14]=2)[CH:10]=1)=[O:5])C.[Li+].[OH-]>O1CCOCC1>[CH2:21]([N:7]1[CH:8]=[C:9]([C:11]#[C:12][C:13]2[CH:18]=[CH:17][CH:16]=[C:15]([O:19][CH3:20])[CH:14]=2)[CH:10]=[C:6]1[C:4]([OH:5])=[O:3])[CH3:22] | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([N:11]2[CH2:16][CH2:15][NH:14][C@H:13]([CH3:17])[CH2:12]2)(=[O:10])=[O:9])=[CH:4][CH:3]=1.C(=O)([O-])[O-].[K+].[K+].[N:24]1[CH:29]=[CH:28][CH:27]=[CH:26][C:25]=1[C:30](Cl)=[O:31].C(OCC)(=O)C>C(#N)C>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([S:8]([N:11]2[CH2:16][CH2:15][N:14]([C:30]([C:25]3[CH:... | 1 |
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