smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(C(O)C)(=O)OC.COC1=CC=C(C=C1)NC1=C(C=NC2=CC=C(C=C12)C(NC)=O)C(=O)O>>COC(C(C)OC(=O)C=1C=NC2=CC=C(C=C2C1NC1=CC=C(C=C1)OC)C(NC)=O)=O | 5 |
C(C)(C)(C)OC(=O)N1CC(C(CC1)N)(F)F.C(#N)C1=CC2=C(C(=C(O2)C)C(=O)O)C=C1OCC=1C(=NC=CC1)C(F)(F)F.C(#N)C1=CC(=CC=2C(=C(OC21)C)C(=O)O)OCC=2C(=NC=CC2)C(F)(F)F>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>C(#N)C1=CC2=C(C(=C(O2)C)C(=O)NC2C(CN(CC2)C(=O)OC(C)(C)C)(F)F)C=C1OCC=1C(=NC=CC1)C(F)(F)F.C(#N)C1=CC(=CC=2C(=C(OC21)C)C(=O)NC2C(CN(CC2)C(=O)OC(C)(C)C)(F)F)OCC=2C(=NC=CC2)C(F)(F)F | 3 |
FC1=CC2=C(N(C3=C(CC2)C=C(C=C3)F)[C@H]3[C@@H]([C@@H](CCC3)O)O)C=C1>O.ClCCl.ClS(Cl)=O.CCN(CC)CC>FC1=CC2=C(N(C3=C(CC2)C=C(C=C3)F)[C@@H]3CCC[C@H]2OS(O[C@H]23)=O)C=C1 | 3 |
C(C#C)Br.[N+](=O)([O-])C=C1NCCN1>N(C)(C)C=O.[H-].[Na+]>[N+](=O)([O-])C=C1N(CCN1)CC#C | 3 |
Cl.N1(CCNCC1)C1=NSC2=C1C=CC=C2.ClCCC=1C=C2C[C@@H](CC2=CC1)NC(C)=O>>S1N=C(C2=C1C=CC=C2)N2CCN(CC2)CCC=2C=C1C[C@@H](CC1=CC2)NC(C)=O | 5 |
C1(=CC=CC=C1)B(O)O.IC1CN(C1)C(=O)OC(C)(C)C.Cl.N[C@H]1[C@@H](CCCC1)O>C(C)(C)O.C[Si](C)(C)[N-][Si](C)(C)C.[Na+].[Ni](I)I>C(C)(C)(C)OC(=O)N1CC(C1)C1=CC=CC=C1 | 3 |
C(Cl)(=O)C(Cl)=O.CS(C)=O.[C:11]([NH:21][C@H:22]([C:26]([NH:28][CH:29]([CH:37]([OH:64])[CH:38]([NH:46][C:47](=[O:63])[C@H:48]([CH:60]([CH3:62])[CH3:61])[NH:49][C:50]([O:52][CH2:53][C:54]1[CH:59]=[CH:58][CH:57]=[CH:56][CH:55]=1)=[O:51])[CH2:39][C:40]1[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=1)[CH2:30][C:31]1[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1)=[O:27])[CH:23]([CH3:25])[CH3:24])([O:13][CH2:14][C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1)=[O:12].C(N(CC)CC)C>C(Cl)Cl.CS(C)=O.C(Cl)Cl>[C:50]([NH:49][C@H:48]([C:47]([NH:46][CH:38]([C:37](=[O:64])[CH:29]([NH:28][C:26](=[O:27])[C@H:22]([CH:23]([CH3:25])[CH3:24])[NH:21][C:11]([O:13][CH2:14][C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1)=[O:12])[CH2:30][C:31]1[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1)[CH2:39][C:40]1[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=1)=[O:63])[CH:60]([CH3:61])[CH3:62])([O:52][CH2:53][C:54]1[CH:59]=[CH:58][CH:57]=[CH:56][CH:55]=1)=[O:51] | 1 |
[C:1]1([CH:7]([C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)[N:8]2[CH2:11][C:10](=[O:12])[NH:9]2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[C:19]1([CH3:31])[CH:24]=[CH:23][C:22]([S:25]([N:28]=[C:29]=[O:30])(=[O:27])=[O:26])=[CH:21][CH:20]=1>C(Cl)Cl>[C:13]1([CH:7]([C:1]2[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=2)[N:8]2[CH2:11][C:10](=[O:12])[N:9]2[C:29]([NH:28][S:25]([C:22]2[CH:23]=[CH:24][C:19]([CH3:31])=[CH:20][CH:21]=2)(=[O:27])=[O:26])=[O:30])[CH:14]=[CH:15][CH:16]=[CH:17][CH:18]=1 | 1 |
[H-].[H-].[H-].[H-].[Li+].[Al+3].C([O:9][C:10](=O)[C:11]([OH:29])([C:25]([F:28])([F:27])[F:26])[CH2:12][C:13]([C:16]1[C:24]2[O:23][CH2:22][CH2:21][C:20]=2[CH:19]=[CH:18][CH:17]=1)([CH3:15])[CH3:14])C>C1COCC1>[O:23]1[C:24]2[C:16]([C:13]([CH3:15])([CH3:14])[CH2:12][C:11]([C:25]([F:26])([F:27])[F:28])([OH:29])[CH2:10][OH:9])=[CH:17][CH:18]=[CH:19][C:20]=2[CH2:21][CH2:22]1 | 1 |
FC1=CC=C2C(=CN=C(C2=C1F)OC)C(C)N[S@@](=O)C(C)(C)C>C(C)OCC.CO[H].Cl>Cl.NC(C)C1=CNC(C2=C(C(=CC=C12)F)F)=O | 3 |
C(\C=C\C)(=O)Cl.C1N(CC2C1CNC2)C=2C=NC(=C(C(=O)N)C2)OC2=CC=C(C=C2)OC2=CC=CC=C2>>C(\C=C\C)(=O)N1CC2C(C1)CN(C2)C=2C=NC(=C(C(=O)N)C2)OC2=CC=C(C=C2)OC2=CC=CC=C2 | 5 |
[Br:1][C:2]1[CH:3]=[C:4]([N+:9]([O-])=O)[C:5]([CH3:8])=[N:6][CH:7]=1.Cl>[Fe]>[Br:1][C:2]1[CH:3]=[C:4]([NH2:9])[C:5]([CH3:8])=[N:6][CH:7]=1 | 1 |
BrC1=CC=C(C(=O)NCCCCO)C=C1>C1CCCO1.ClCCl.CCN(CC)CC.C(C(=O)Cl)(=O)Cl>BrC1=CC=C(C(=O)NCCCC=O)C=C1 | 3 |
C(C)(=O)N1OC[C@H]2[C@@]1(CO[C@@H]2C(C)=O)C2=C(C=CC(=C2)Br)F>>BrC=1C=CC(=C(C1)[C@@]12N(OC[C@@H]1[C@H](OC2)C(C)(F)F)C(C)=O)F | 5 |
O1CCCCC1[O:7][CH2:8][C@H:9]([C:11]1([OH:16])[CH2:15][CH2:14][CH2:13][CH2:12]1)[CH3:10].C1(C)C=CC(S([O-])(=O)=O)=CC=1.[NH+]1C=CC=CC=1.C(N(CC)CC)C>C(O)C.C1(C)C=CC=CC=1>[OH:7][CH2:8][C@H:9]([C:11]1([OH:16])[CH2:15][CH2:14][CH2:13][CH2:12]1)[CH3:10] | 1 |
[Si](C)(C)(C(C)(C)C)O[C@H]1C[C@@H](CC2=CC=C3[C@@H]4CC=C([C@@H](C)O)[C@]4(CC[C@@H]3[C@@]12C)C)O[Si](C)(C)C(C)(C)C.BrCC#CC(C)(O[Si](CC)(CC)CC)C>>[Si](C)(C)(C(C)(C)C)O[C@H]1C[C@@H](CC2=CC=C3[C@@H]4CC=C([C@@H](C)OCC#CC(C)(O[Si](CC)(CC)CC)C)[C@]4(CC[C@@H]3[C@@]12C)C)O[Si](C)(C)C(C)(C)C | 5 |
FC1(CNCCC1)F.C(=O)C1=CC=C(CN2C(=NC3=C2C=CC(=C3)OCC3=NC2=CC=CC=C2C=C3)CC(C(=O)O)(C)C)C=C1>ClCCl.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>C(=O)C1=CC=C(CN2C(=NC3=C2C=CC(=C3)OCC3=NC2=CC=CC=C2C=C3)CC(C(=O)OCC)(C)C)C=C1 | 3 |
[N:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[NH:3][C:2]=1[CH2:10][C:11]([CH3:19])([CH3:18])[CH2:12][C:13]([O:15][CH2:16][CH3:17])=[O:14].[H-].[Na+].[Cl:22][C:23]1[CH:30]=[CH:29][C:26]([CH2:27]Cl)=[CH:25][CH:24]=1>CN(C)C=O>[Cl:22][C:23]1[CH:30]=[CH:29][C:26]([CH2:27][N:1]2[C:5]3[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=3[N:3]=[C:2]2[CH2:10][C:11]([CH3:18])([CH3:19])[CH2:12][C:13]([O:15][CH2:16][CH3:17])=[O:14])=[CH:25][CH:24]=1 | 1 |
CS(=O)(=O)OCCNC1C(C2=CC=C(C=C2CC1)Br)S(=O)(=O)C1=CC=C(C=C1)F>CC(C)(C)[O-].[K+].C1CCCO1>BrC1=CC2=C(C3(CCNC3CC2)S(=O)(=O)C2=CC=C(C=C2)F)C=C1 | 3 |
FC1=CC=C(C#N)C=C1.O=C(CNC(C1=CC(=CC=C1)C(F)(F)F)=O)N[C@H]1CN(CC1)C1CCNCC1>CO[H].C([O-])([O-])=O.[K+].[K+].C(C)(=O)OCC.N.CS(=O)C>C(#N)C1=CC=C(C=C1)N1CCC(CC1)N1C[C@@H](CC1)NC(CNC(C1=CC(=CC=C1)C(F)(F)F)=O)=O | 3 |
ClC1=C(C=C(C(=O)O)C=C1S(N)(=O)=O)[N+](=O)[O-]>O.Cl.N1CCCCC1>[N+](=O)([O-])C=1C=C(C(=O)O)C=C(C1N1CCCCC1)S(N)(=O)=O | 3 |
C1(C=CC2=CC=CC=C12)[Li].OCC=1C(CCC1C)=O>>C1(C=CC2=CC=CC=C12)CC1=C(CC=C1C)C | 5 |
[N+](=O)([O-])[O-].[NH4+].N1C=NC(=C1)C(=O)O>S(O)(O)(=O)=O>COC(=O)C=1N=CNC1[N+](=O)[O-] | 3 |
COC1=CC=C(CN2C(C3=CC=CC(=C3C2=O)[N+](=O)[O-])=O)C=C1>O.[Fe].CCO[H].[Cl-].[NH4+]>NC1=C2C(N(C(C2=CC=C1)=O)CC1=CC=C(C=C1)OC)=O | 3 |
C(CC)N1C=NC=C1.CON(C(CC1=CC=C(C=C1)[N+](=O)[O-])=O)C>>[N+](=O)([O-])C1=CC=C(C=C1)CC(=O)C=1N(C=CN1)CCC | 5 |
C(C)(C)(C)OC(=O)N[C@@H](C)C=1C(=NC=CN1)C=1SC(=CN1)C(=O)OC>>C(C)(C)(C)OC(=O)N[C@@H](C)C=1C(=NC=CN1)C=1SC(=CN1)C(=O)O | 5 |
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O>S(O)(O)(=O)=O.[Cl-].[Na+].[Sn](Cl)(Cl)(Cl)Cl>CC1=CC=C(O1)C=O | 3 |
ClC1=CC=2C3=C(C(=NC2C(=C1C1=CC=C(C=C1)F)F)N1CC(C1)(C)N(C)C)N=NN3[C@@H]3C[C@H](N(CC3)C(=O)OC(C)(C)C)CC#N>ClCCl.C(=O)(C(F)(F)F)O>ClC1=CC=2C3=C(C(=NC2C(=C1C1=CC=C(C=C1)F)F)N1CC(C1)(C)N(C)C)N=NN3[C@@H]3C[C@H](NCC3)CC#N | 3 |
ClC=1C=C(C=CC1F)O.BrC1=NN(C(=N1)Br)CCF>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+]>BrC1=NN(C(=N1)OC1=CC(=C(C=C1)F)Cl)CCF | 3 |
[I-:1].[Na+].Cl[CH2:4][CH:5]([C:7]1[CH:8]=[C:9]([NH:13][S:14]([C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)(=[O:16])=[O:15])[CH:10]=[CH:11][CH:12]=1)[OH:6]>CN(C)C=O>[I:1][CH2:4][CH:5]([C:7]1[CH:8]=[C:9]([NH:13][S:14]([C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)(=[O:16])=[O:15])[CH:10]=[CH:11][CH:12]=1)[OH:6] | 2 |
CC1=C(C=CC=C1)B(O)O.BrC1=NC=CC=C1>C1(=CC=CC=C1)C.Cl[Pd]Cl.O.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>C1(=C(C=CC=C1)C1=NC=CC=C1)C | 3 |
[C:1]([O:5][C:6](=[O:26])[NH:7][C@H:8]1[CH2:13][C@@H:12]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[C@@H:11]([CH3:20])[N:10]([CH2:21][C:22]([CH3:24])=[CH2:23])[C:9]1=[O:25])([CH3:4])([CH3:3])[CH3:2].[H][H]>C(O)C.[Pd]>[C:1]([O:5][C:6](=[O:26])[NH:7][C@H:8]1[CH2:13][C@@H:12]([C:14]2[CH:15]=[CH:16][CH:17]=[CH:18][CH:19]=2)[C@@H:11]([CH3:20])[N:10]([CH2:21][CH:22]([CH3:23])[CH3:24])[C:9]1=[O:25])([CH3:2])([CH3:3])[CH3:4] | 1 |
C[C@@H](C1=CC=CC=C1)N.C(#N)C(C(=O)[C@H](CCCC)NC(OC1(CCCC1)CC1=CC=CC=C1)=O)=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1>>O=C(C(=O)[C@H](CCCC)NC(OC1(CCCC1)CC1=CC=CC=C1)=O)N[C@H](C)C1=CC=CC=C1 | 5 |
NO.ClC=1N=C(NC1Cl)CNC1=C(C=CC=C1)/C=C/C(=O)OC>O.C1CCCO1.CO[H].Cl.[OH-].[Na+]>ClC=1N=C(NC1Cl)CNC1=C(C=CC=C1)/C=C/C(=O)NO | 3 |
N1=C(C=CC=C1)S(=O)(=O)Cl.OC1CNCCCC1NC([C@@H](N[C@H](C(F)(F)F)C1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)C)CC(C)C)=O>ClCCl.CCN(CC)CC>OC1CN(CCCC1NC([C@@H](N[C@H](C(F)(F)F)C1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)C)CC(C)C)=O)S(=O)(=O)C1=NC=CC=C1 | 3 |
C[N+](=C)C.[I-].S1C(=CC=C1)CSCCNC1=NC=C(C(N1)=O)CC=1C=NC=CC1>N(C)(C)C=O>CN(C)CC1=CC=C(S1)CSCCNC1=NC=C(C(N1)=O)CC=1C=NC=CC1 | 3 |
[CH3:1][C:2]12[CH2:25][CH:6]([N:7]([C:9]([C:11]3[CH:16]=[CH:15][C:14]([N:17]4[CH2:21][CH2:20][CH:19]([C:22](O)=[O:23])[CH2:18]4)=[CH:13][CH:12]=3)=[O:10])[CH2:8]1)[CH2:5][C:4]([CH3:27])([CH3:26])[CH2:3]2.C1C=CC2N(O)N=NC=2C=1.CCN=C=NCCCN(C)C.CCN(C(C)C)C(C)C.[NH:58]1[CH2:63][CH2:62][O:61][CH2:60][CH2:59]1>C1COCC1>[N:58]1([C:22]([CH:19]2[CH2:20][CH2:21][N:17]([C:14]3[CH:13]=[CH:12][C:11]([C:9]([N:7]4[CH2:27][C:4]5([CH3:26])[CH2:5][CH:6]4[CH2:25][C:2]([CH3:1])([CH3:8])[CH2:3]5)=[O:10])=[CH:16][CH:15]=3)[CH2:18]2)=[O:23])[CH2:63][CH2:62][O:61][CH2:60][CH2:59]1 | 1 |
ClC=1C(=C(C=NC1Cl)NC(OC(C)(C)C)=O)I>ClCCl.C(=O)(C(F)(F)F)O.C(O)([O-])=O.[Na+]>ClC=1C(=C(C=NC1Cl)N)I | 3 |
BrC=1C=NC(=NC1)C#N.C(C)(C)(C)OC(=O)N1C(OC(C1CF)C1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C)(C)C>C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C1(=CC=CC=C1)C.O>C(C)(C)(C)OC(=O)N1C(OC(C1CF)C1=CC=C(C=C1)C=1C=NC(=NC1)C#N)(C)C | 3 |
[C:1]1([C:7]([NH:9][CH:10]2[CH2:15][CH:14]([C:16]3[CH:21]=[CH:20][C:19]([C:22]([F:25])([F:24])[F:23])=[CH:18][CH:17]=3)[CH2:13][N:12]([C:26]([N:28]3[CH2:33][CH2:32][CH:31]([C:34](O)=[O:35])[CH2:30][CH2:29]3)=[O:27])[CH2:11]2)=[O:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.C[N:38](C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.C([O-])(=O)C.[NH4+]>CN(C)C1C=CN=CC=1.CN(C=O)C>[C:1]1([C:7]([NH:9][CH:10]2[CH2:15][CH:14]([C:16]3[CH:21]=[CH:20][C:19]([C:22]([F:23])([F:25])[F:24])=[CH:18][CH:17]=3)[CH2:13][N:12]([C:26]([N:28]3[CH2:29][CH2:30][CH:31]([C:34]([NH2:38])=[O:35])[CH2:32][CH2:33]3)=[O:27])[CH2:11]2)=[O:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:12]=[C:11]([O:13][CH:14]([F:16])[F:15])[NH:10][N:9]=2)=[C:4]([F:17])[CH:3]=1.S(OC)(O[CH3:22])(=O)=O.[NH4+].[Cl-]>C1(C)C=CC=CC=1>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:12]=[C:11]([O:13][CH:14]([F:16])[F:15])[N:10]([CH3:22])[N:9]=2)=[C:4]([F:17])[CH:3]=1 | 1 |
[Si:1]([O:8][C:9]1[CH:42]=[CH:41][C:12]([C:13]([NH:15][NH:16][C:17](=O)[C@H:18]([NH:29][C:30]2[CH:35]=[CH:34][C:33]([C:36]#[N:37])=[C:32]([Cl:38])[C:31]=2[CH3:39])[C@@H:19]([O:21][Si:22]([C:25]([CH3:28])([CH3:27])[CH3:26])([CH3:24])[CH3:23])[CH3:20])=[O:14])=[CH:11][CH:10]=1)([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.II.[Si](O[C@@H](C)[C@@H](NC1C=CC(C#N)=C(Cl)C=1C)C1OC(C2C=CC=C(O[Si](C(C)(C)C)(C)C)C=2)=NN=1)(C(C)(C)C)(C)C>>[Si:22]([O:21][C@@H:19]([CH3:20])[C@@H:18]([NH:29][C:30]1[CH:35]=[CH:34][C:33]([C:36]#[N:37])=[C:32]([Cl:38])[C:31]=1[CH3:39])[C:17]1[O:14][C:13]([C:12]2[CH:41]=[CH:42][C:9]([O:8][Si:1]([C:4]([CH3:6])([CH3:5])[CH3:7])([CH3:3])[CH3:2])=[CH:10][CH:11]=2)=[N:15][N:16]=1)([C:25]([CH3:26])([CH3:27])[CH3:28])([CH3:23])[CH3:24] | 1 |
[C:1]([C@H:5]1[CH2:10][CH2:9][C@H:8]([O:11][C:12]2[CH:13]=[C:14]3[C:19](=[CH:20][CH:21]=2)[CH2:18][CH:17]([CH:22]=O)[CH2:16][CH2:15]3)[CH2:7][CH2:6]1)([CH3:4])([CH3:3])[CH3:2].[NH:24]1[CH2:29][CH2:28][CH:27]([C:30]([OH:32])=[O:31])[CH2:26][CH2:25]1.C(O)C.C([BH3-])#N.[Na+].C(O)(=O)CC(CC(O)=O)(C(O)=O)O>>[C:1]([C@H:5]1[CH2:6][CH2:7][C@H:8]([O:11][C:12]2[CH:13]=[C:14]3[C:19](=[CH:20][CH:21]=2)[CH2:18][CH:17]([CH2:22][N:24]2[CH2:29][CH2:28][CH:27]([C:30]([OH:32])=[O:31])[CH2:26][CH2:25]2)[CH2:16][CH2:15]3)[CH2:9][CH2:10]1)([CH3:4])([CH3:2])[CH3:3] | 1 |
CB(O)O.ClC=1C=CC(=NC1)OC1=CC=C(C=C1)C1=NN(C=2C1=NC=CC2)CC>>C(C)N1N=C(C2=NC=CC=C21)C2=CC=C(C=C2)OC2=NC=C(C=C2)C | 5 |
[CH3:1][O:2][C:3]([C:5]1[N:6]([S:21]([CH3:24])(=[O:23])=[O:22])[CH:7]=[C:8]([C:10](=O)[NH:11][C:12]2[CH:17]=[CH:16][CH:15]=[C:14]([F:18])[C:13]=2[F:19])[CH:9]=1)=[O:4].COC1C=CC(P2(SP(C3C=CC(OC)=CC=3)(=S)S2)=[S:34])=CC=1>C1(C)C=CC=CC=1>[CH3:1][O:2][C:3]([C:5]1[N:6]([S:21]([CH3:24])(=[O:23])=[O:22])[CH:7]=[C:8]([C:10](=[S:34])[NH:11][C:12]2[CH:17]=[CH:16][CH:15]=[C:14]([F:18])[C:13]=2[F:19])[CH:9]=1)=[O:4] | 1 |
C(C1=CC=CC=C1)(=O)OC(C1=CC=CC=C1)=O.COC1=CC=C(C(C2=CC=C(C=C2)OC)(C2=CC=CC=C2)C([C@@H]2[C@H]([C@H]([C@@H](S2)N2C(=O)N=C(N)C=C2)O)O)O)C=C1>N(C)(C)C=O>C(C1=CC=CC=C1)(=O)NC1=NC(N(C=C1)[C@H]1[C@H](O)[C@H](O)[C@H](S1)C(O)C(C1=CC=C(C=C1)OC)(C1=CC=C(C=C1)OC)C1=CC=CC=C1)=O | 3 |
C(C)OC(C(=CN(C)C)C=1C=NC=CC1)=O.C(C)(C)(C)OCC=1C=CC(=NC1)NN>CCO[H].C1(=CC=C(C=C1)S(=O)(=O)O)C>C(C)(C)(C)OCC=1C=CC(=NC1)N1NC=C(C1=O)C=1C=NC=CC1 | 3 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][C:11](=O)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[CH3:15][C:16]1([CH3:24])[O:21][C:20](=[O:22])[CH2:19][C:18](=[O:23])[O:17]1.C([O-])(=O)C.[NH4+].C(O)(=O)C>C1(C)C=CC=CC=1>[CH3:15][C:16]1([CH3:24])[O:21][C:20](=[O:22])[C:19](=[C:11]2[CH2:12][CH2:13][N:8]([C:6]([O:5][C:1]([CH3:4])([CH3:3])[CH3:2])=[O:7])[CH2:9][CH2:10]2)[C:18](=[O:23])[O:17]1 | 2 |
FC1(CC(C1)CC(=O)N[C@H]([C@H](C)OC)C=1C=C(N=NC1)N(C(OC(C)(C)C)=O)CC1=CC=C(C=C1)OC)F>CO[H].C(=O)(C(F)(F)F)O.Cl>NC1=CC(=CN=N1)[C@@H]([C@H](C)OC)NC(CC1CC(C1)(F)F)=O | 3 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([NH:8][C:9](=[O:20])[C:10]2[CH:15]=[CH:14][CH:13]=[C:12]([C:16]([F:19])([F:18])[F:17])[CH:11]=2)=[CH:4][C:3]=1[C:21]1[N:26]2[N:27]=[CH:28][C:29](I)=[C:25]2[N:24]=[CH:23][CH:22]=1.[C:31]([O:35][C:36]([N:38]1[CH:42]=[C:41](B2OC(C)(C)C(C)(C)O2)[CH:40]=[N:39]1)=[O:37])([CH3:34])([CH3:33])[CH3:32]>COCCOC>[F:1][C:2]1[CH:7]=[CH:6][C:5]([NH:8][C:9](=[O:20])[C:10]2[CH:15]=[CH:14][CH:13]=[C:12]([C:16]([F:19])([F:18])[F:17])[CH:11]=2)=[CH:4][C:3]=1[C:21]1[N:26]2[N:27]=[CH:28][C:29]([C:41]3[CH:42]=[N:38][NH:39][CH:40]=3)=[C:25]2[N:24]=[CH:23][CH:22]=1.[F:1][C:2]1[CH:7]=[CH:6][C:5]([NH:8][C:9](=[O:20])[C:10]2[CH:15]=[CH:14][CH:13]=[C:12]([C:16]([F:19])([F:18])[F:17])[CH:11]=2)=[CH:4][C:3]=1[C:21]1[N:26]2[N:27]=[CH:28][C:29]([C:41]3[CH:40]=[N:39][N:38]([C:36]([O:35][C:31]([CH3:34])([CH3:33])[CH3:32])=[O:37])[CH:42]=3)=[C:25]2[N:24]=[CH:23][CH:22]=1 | 2 |
IC1=C(C=C(C=C1)N1C(O[C@H](C1)CNC(C)=O)=O)F.C(C)(C)(C)C(=O)N(CCCF)CC1=CC=C(C=C1)B(O)O>C1(=CC=CC=C1)C.O.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(C)(C)(C)OC(N(CCCF)CC1=CC=C(C=C1)C1=C(C=C(C=C1)N1C(O[C@H](C1)CNC(C)=O)=O)F)=O | 3 |
CI.C(C)OC(CCCC1=CC=C2CCCN(C2=N1)C(=O)OC(C)(C)C)=O>C1CCCO1.C(C)(=O)OCC.[Cl-].[NH4+].C[Si](C)(C)[N-][Si](C)(C)C.[K+]>OCC(CCC1=CC=C2CCCN(C2=N1)C(=O)OC(C)(C)C)C | 3 |
[NH2:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[N:7]([C:11]1[CH:16]=[CH:15][C:14]([NH2:17])=[CH:13][CH:12]=1)[N:6]=[CH:5]2.[NH:18]1[C:26]2[C:21](=[CH:22][C:23]([C:27]([OH:29])=O)=[CH:24][CH:25]=2)[CH:20]=[CH:19]1>>[NH:18]1[C:26]2[C:21](=[CH:22][C:23]([C:27]([NH:1][C:2]3[CH:3]=[C:4]4[C:8](=[CH:9][CH:10]=3)[N:7]([C:11]3[CH:16]=[CH:15][C:14]([NH:17][C:27]([C:23]5[CH:22]=[C:21]6[C:26](=[CH:25][CH:24]=5)[NH:18][CH:19]=[CH:20]6)=[O:29])=[CH:13][CH:12]=3)[N:6]=[CH:5]4)=[O:29])=[CH:24][CH:25]=2)[CH:20]=[CH:19]1 | 1 |
[NH2:1][CH2:2][C:3]1[CH:4]=[C:5]([NH:9][C:10]2[N:15]=[C:14]([NH:16][C:17]3[CH:26]=[CH:25][CH:24]=[CH:23][C:18]=3[C:19]([NH:21][CH3:22])=[O:20])[C:13]([Cl:27])=[CH:12][N:11]=2)[CH:6]=[CH:7][CH:8]=1.CCN(C(C)C)C(C)C.[C:37](Cl)(=[O:40])[CH:38]=[CH2:39]>C(Cl)Cl.C(=O)(O)[O-].[Na+]>[C:37]([NH:1][CH2:2][C:3]1[CH:4]=[C:5]([NH:9][C:10]2[N:15]=[C:14]([NH:16][C:17]3[CH:26]=[CH:25][CH:24]=[CH:23][C:18]=3[C:19]([NH:21][CH3:22])=[O:20])[C:13]([Cl:27])=[CH:12][N:11]=2)[CH:6]=[CH:7][CH:8]=1)(=[O:40])[CH:38]=[CH2:39] | 2 |
COC(C1=CC=C(C=C1)N(C)C(CN(C)C(=O)[C@H]1N(C[C@@H](C1)SC(C)=O)S(=O)(=O)C1=CC=C(C=C1)C1=CC=CC=C1)=O)=O>C1CCCO1.[OH-].[Li+]>C1(=CC=C(C=C1)S(=O)(=O)N1[C@@H](C[C@H](C1)S)C(=O)N(C)CC(=O)N(C1=CC=C(C(=O)O)C=C1)C)C1=CC=CC=C1 | 3 |
[C:1]([S:5]([CH2:8][C@@H:9]([CH2:13][C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)[C:10]([OH:12])=[O:11])(=[O:7])=[O:6])([CH3:4])([CH3:3])[CH3:2]>[Rh].[O-2].[Al+3].[O-2].[O-2].[Al+3].C(O)C>[C:1]([S:5]([CH2:8][C@@H:9]([CH2:13][CH:14]1[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]1)[C:10]([OH:12])=[O:11])(=[O:6])=[O:7])([CH3:4])([CH3:2])[CH3:3] | 1 |
[CH2:1]([N:3]1[C:16]2[CH:15]=[CH:14][C:13]([CH:17]=O)=[CH:12][C:11]=2[S:10][C:9]2[C:4]1=[CH:5][CH:6]=[CH:7][CH:8]=2)[CH3:2].[C:19]1([NH:25][NH2:26])[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1>CO>[C:19]1([NH:25][N:26]=[CH:17][C:13]2[CH:14]=[CH:15][C:16]3[N:3]([CH2:1][CH3:2])[C:4]4[C:9]([S:10][C:11]=3[CH:12]=2)=[CH:8][CH:7]=[CH:6][CH:5]=4)[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1 | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.Cl.NC1(CC1)CCO>O.C1CCCO1.CCN(CC)CC>OCCC1(CC1)NC(OC(C)(C)C)=O | 3 |
CC1C(CCCC1)=O>CO[H].N.[O].[Cu](Cl)Cl>C(#N)CCCCC(C)=O | 3 |
N(=[N+]=[N-])[C@H]1CN(C[C@@H](C1)F)CC1=CC=CC=C1>>C(C1=CC=CC=C1)N1C[C@@H](C[C@H](C1)F)N | 5 |
C1(=CC=CC=C1)N=C=O.[N+](=O)([O-])CCOC1OCCCC1.C(C1=CC=CC=C1)N1CC=CC1>>C(C1=CC=CC=C1)N1CC2C(=NOC2C1)COC1OCCCC1 | 5 |
[Br:1][C:2]1[C:3](Cl)=[N:4][CH:5]=[CH:6][C:7]=1[CH3:8].C(O)=[O:11].O>>[Br:1][C:2]1[C:3](=[O:11])[NH:4][CH:5]=[CH:6][C:7]=1[CH3:8] | 1 |
BrC1=CC=C2C=CC3=CC=CC4=CC=C1C2=C34.SC1=C(C(=O)O)C=CC(=C1)OC>>C1CCC2C=CC3=CC=C(C4=CC=C1C2=C34)SC3=C(C(=O)O)C=CC(=C3)OC | 5 |
ClC1=NC=CC(=C1)C(F)(F)F.COCC1=NNC=C1C(=O)OC>>COCC1=NN(C=C1C(=O)OC)C1=NC=CC(=C1)C(F)(F)F | 5 |
COCOC1=CC=C(C=O)C=C1>CCO[H].[OH-].[K+].NCC(=O)O>COCOC1=CC=C(C([C@H](N)C(=O)O)O)C=C1 | 3 |
C(C)(=O)C1=CC=C(C=C1)NC1=NC2=C(N1CCC1OCCO1)C=C(C=C2)C(=O)N(CCC(C)C)CCC(C)C>>C(C)(=O)C1=CC=C(C=C1)NC1=NC2=C(N1CCC=O)C=C(C=C2)C(=O)N(CCC(C)C)CCC(C)C | 5 |
Cl.OC1CNC1.C(#N)C=1C=CC(=NC1)N1CCN(CC1)C(=O)OC1=CC=C(C=C1)[N+](=O)[O-]>ClCCl.C(C)(C)N(C(C)C)CC.C(CCC)O>OC1CN(C1)C(=O)N1CCN(CC1)C1=CC=C(C=N1)C#N | 3 |
C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N[C@H](C(=O)O)[C@@H](CCC)O>O.CO[H].N1CCCCC1.CCCCCCC>N[C@H](C(=O)O)[C@@H](CCC)O | 3 |
BrC1=NN=C(S1)C#N>O.[Br-].[Zn+2].[Br-].Cl.[N-]=[N+]=[N-].[Na+].CC(C)O>BrC1=NN=C(S1)C1=NN=NN1 | 3 |
BrBr.[N:3]1([NH:9][C:10](=[O:19])[C:11]2[CH:16]=[CH:15][C:14]([OH:17])=[C:13](Br)[CH:12]=2)[CH2:8][CH2:7][O:6][CH2:5][CH2:4]1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C[C:40]([N:42](C)C)=O>[Zn].[C-]#N.[Zn+2].[C-]#N.[C].[Pd]>[N:3]1([NH:9][C:10](=[O:19])[C:11]2[CH:16]=[CH:15][C:14]([OH:17])=[C:13]([C:40]#[N:42])[CH:12]=2)[CH2:8][CH2:7][O:6][CH2:5][CH2:4]1 | 1 |
[CH3:1][C:2]1[O:3][C:4]2[CH:10]=[C:9]([CH2:11]O)[CH:8]=[CH:7][C:5]=2[N:6]=1.C(Br)(Br)(Br)[Br:14].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>C1(C)C=CC=CC=1>[Br:14][CH2:11][C:9]1[CH:8]=[CH:7][C:5]2[N:6]=[C:2]([CH3:1])[O:3][C:4]=2[CH:10]=1 | 1 |
FC=1C=C(OC)C=CC1N.ClC1=NC=C(C(=N1)Cl)CCl>C([O-])([O-])=O.[K+].[K+].CC(=O)C>ClC1=NC=C(C(=N1)Cl)CNC1=CC=C(C=C1)OC | 3 |
ClC=1C=CC=C2C=C(N=CC12)OS(=O)(=O)C(F)(F)F.CC=1SC(=CN1)B1OC(C(O1)(C)C)(C)C>O.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].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]>ClC=1C=CC=C2C=C(N=CC12)C1=CN=C(S1)C | 3 |
C[Mg]Cl.BrC1=NC=CC(=C1)C=O>C1CCCO1>BrC1=NC=CC(=C1)C(C)O | 3 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5](=[O:26])[N:6]([CH2:8][C:9]2[CH:14]=[CH:13][C:12]([CH2:15][N:16]3[CH:24]=[C:23]4[C:18]([N:19]=[CH:20][N:21]=[C:22]4Cl)=[N:17]3)=[CH:11][CH:10]=2)[CH:7]=1.CCN(C(C)C)C(C)C.[CH3:36][O:37][C:38]1[CH:39]=[C:40]([CH3:46])[C:41]([CH2:44][NH2:45])=[N:42][CH:43]=1>C(O)CCC>[Cl:1][C:2]1[CH:3]=[CH:4][C:5](=[O:26])[N:6]([CH2:8][C:9]2[CH:14]=[CH:13][C:12]([CH2:15][N:16]3[CH:24]=[C:23]4[C:18]([N:19]=[CH:20][N:21]=[C:22]4[NH:45][CH2:44][C:41]4[C:40]([CH3:46])=[CH:39][C:38]([O:37][CH3:36])=[CH:43][N:42]=4)=[N:17]3)=[CH:11][CH:10]=2)[CH:7]=1 | 2 |
ClC=1C=CC2=C(C(=NCC(N2)=O)C2=C(C=CC=C2)F)C1>C1(=CC=CC=C1)C.O.COC=1C=CC(=CC1)P2(=S)SP(=S)(S2)C=3C=CC(=CC3)OC>ClC=1C=CC2=C(C(=NCC(N2)=S)C2=C(C=CC=C2)F)C1 | 3 |
C1COCCN1.FC1=CC=C(CN)C=C1.CC1(OC(C(O1)=CC(=O)Cl)=O)C>>CC1(OC(C(O1)=CC(=O)NCC1=CC=C(C=C1)F)=O)C | 5 |
Br[C:2]1[CH:23]=[C:22]([O:24][CH3:25])[C:5]2[N:6]([CH2:18][CH2:19][O:20][CH3:21])[C:7]([C:9]3[CH:14]=[CH:13][C:12]([CH:15]([CH3:17])[CH3:16])=[CH:11][CH:10]=3)=[N:8][C:4]=2[CH:3]=1.[CH3:26][N:27](C=O)C>[C-]#N.[Zn+2].[C-]#N.[Pd].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>[CH:15]([C:12]1[CH:11]=[CH:10][C:9]([C:7]2[N:6]([CH2:18][CH2:19][O:20][CH3:21])[C:5]3[C:22]([O:24][CH3:25])=[CH:23][C:2]([C:26]#[N:27])=[CH:3][C:4]=3[N:8]=2)=[CH:14][CH:13]=1)([CH3:17])[CH3:16] | 1 |
[N+](=O)([O-])C=1N=C(C=2N=CN([C@]3([C@](O)([C@](O)([C@@](C(O)C(C4=CC=CC=C4)=O)(O3)C(C3=CC=CC=C3)=O)C(C3=CC=CC=C3)=O)C(C3=CC=CC=C3)=O)C(C3=CC=CC=C3)=O)C2N1)N>CO[H].[OH-].[Na+]>COC=1N=C(C=2N=CN([C@H]3[C@H](O)[C@H](O)[C@@H](CO)O3)C2N1)N | 3 |
C1CCCC12C(C1(CCCC1)CCC2)=O.C1CCCC12C(C1(CCCC1)CCC2)O>>C(C(=C)C)(=O)OC1C2(CCCC2)CCCC12CCCC2 | 5 |
Cl.FC1=C(C=CC=C1)CC(=O)C1CCNCC1.ClCC=1NC(NN1)=O>CC#N.C([O-])([O-])=O.[K+].[K+].C(C)(=O)OCC>FC1=C(C=CC=C1)CC(=O)C1CCN(CC1)CC=1NC(NN1)=O | 3 |
[Br:1][C:2]1[C:6]2[CH:7]=[N:8][C:9]([C:11]([O:13]C)=[O:12])=[CH:10][C:5]=2[N:4]([C:15]([C:28]2[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=2)([C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)[C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)[N:3]=1.[OH-].[K+].Cl.O>CO>[Br:1][C:2]1[C:6]2[CH:7]=[N:8][C:9]([C:11]([OH:13])=[O:12])=[CH:10][C:5]=2[N:4]([C:15]([C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)([C:16]2[CH:17]=[CH:18][CH:19]=[CH:20][CH:21]=2)[C:28]2[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=2)[N:3]=1 | 1 |
[CH3:1][C:2]1[CH:7]=[C:6]([C:8](=O)[CH2:9][CH:10]([C:18]2[CH:23]=[CH:22][C:21]([C:24]3[CH:29]=[CH:28][C:27]([C:30]([NH:32][CH2:33][CH2:34][C:35]([OH:37])=[O:36])=[O:31])=[CH:26][CH:25]=3)=[CH:20][CH:19]=2)[C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=2[CH3:17])[CH:5]=[CH:4][N:3]=1.Cl.[NH2:40][OH:41].C([O-])(O)=O.[Na+]>>[OH:41][N:40]=[C:8]([C:6]1[CH:5]=[CH:4][N:3]=[C:2]([CH3:1])[CH:7]=1)[CH2:9][CH:10]([C:18]1[CH:23]=[CH:22][C:21]([C:24]2[CH:25]=[CH:26][C:27]([C:30]([NH:32][CH2:33][CH2:34][C:35]([OH:37])=[O:36])=[O:31])=[CH:28][CH:29]=2)=[CH:20][CH:19]=1)[C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=1[CH3:17] | 1 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([CH3:8])=[CH:4][C:3]=1[NH:9][C:10]([NH:12][C:13]1[CH:31]=[CH:30][C:16]([O:17][C:18]2[CH:23]=[CH:22][N:21]=[C:20]3[CH:24]=[C:25]([C:27]([OH:29])=O)[S:26][C:19]=23)=[CH:15][CH:14]=1)=[O:11].CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.C(N(CC)C(C)C)(C)C.[C:65]([NH:72][CH2:73][CH2:74][CH2:75][NH2:76])([O:67][C:68]([CH3:71])([CH3:70])[CH3:69])=[O:66].Cl>C(#N)C.O>[F:1][C:2]1[CH:7]=[CH:6][C:5]([CH3:8])=[CH:4][C:3]=1[NH:9][C:10]([NH:12][C:13]1[CH:31]=[CH:30][C:16]([O:17][C:18]2[CH:23]=[CH:22][N:21]=[C:20]3[CH:24]=[C:25]([C:27]([NH:76][CH2:75][CH2:74][CH2:73][NH:72][C:65](=[O:66])[O:67][C:68]([CH3:70])([CH3:69])[CH3:71])=[O:29])[S:26][C:19]=23)=[CH:15][CH:14]=1)=[O:11] | 1 |
[CH3:1][C:2]1([CH3:34])[S:7][CH2:6][CH2:5][N:4]([S:8]([C:11]2[CH:16]=[CH:15][C:14]([O:17][CH2:18][C:19]#[C:20][CH2:21][CH2:22][O:23][CH:24]3[CH2:29][CH2:28][CH2:27][CH2:26][O:25]3)=[CH:13][CH:12]=2)(=[O:10])=[O:9])[CH:3]1[C:30]([O:32]C)=[O:31].[OH-].[Na+].CO>C1COCC1>[CH3:1][C:2]1([CH3:34])[S:7][CH2:6][CH2:5][N:4]([S:8]([C:11]2[CH:12]=[CH:13][C:14]([O:17][CH2:18][C:19]#[C:20][CH2:21][CH2:22][O:23][CH:24]3[CH2:29][CH2:28][CH2:27][CH2:26][O:25]3)=[CH:15][CH:16]=2)(=[O:10])=[O:9])[CH:3]1[C:30]([OH:32])=[O:31] | 1 |
COC1=C(C=CC=C1C1=NN(C=N1)C)NC=1C=C(N=NC1C(NC)=O)NC1=CC=C(C=N1)N1CCN(CC1)CCCCCCCC(=O)OC(C)(C)C>ClCCl.C(=O)(C(F)(F)F)O>COC1=C(C=CC=C1C1=NN(C=N1)C)NC=1C=C(N=NC1C(NC)=O)NC1=CC=C(C=N1)N1CCN(CC1)CCCCCCCC(=O)O | 3 |
C(C=C)OC(C1=C(C=C(C=C1)[N+](=O)[O-])OCC=C)=O>>C(C=C)OC1=C(C(=O)OCC=C)C=CC(=C1)N | 5 |
C(C)I.C(C)OC(C(C1=NN(C(=N1)C)C1=CC=CC=C1)O)=O>>C(C)OC(C(C1=NN(C(=N1)C)C1=CC=CC=C1)OCC)=O | 5 |
[CH3:1][C:2]1[C:7]([CH3:8])=[CH:6][CH:5]=[CH:4][C:3]=1[O:9][C:10]1[N:15]=[CH:14][C:13]([NH:16][C:17](=[O:21])[C@@H:18]([CH3:20])[NH2:19])=[CH:12][CH:11]=1.C(N(CC)CC)C.Cl[C:30](Cl)([O:32]C(=O)OC(Cl)(Cl)Cl)Cl.C([O-])(O)=O.[Na+]>ClCCl>[CH3:1][C:2]1[C:7]([CH3:8])=[CH:6][CH:5]=[CH:4][C:3]=1[O:9][C:10]1[N:15]=[CH:14][C:13]([N:16]2[C:17](=[O:21])[C@@H:18]([CH3:20])[NH:19][C:30]2=[O:32])=[CH:12][CH:11]=1 | 1 |
[CH2:1]([C:5]1[C:9](/[CH:10]=[CH:11]/[C:12]2[S:13][C:14]([C:18]([OH:20])=O)=[C:15]([CH3:17])[N:16]=2)=[C:8]([CH3:21])[O:7][N:6]=1)[CH2:2][CH2:3][CH3:4].F[B-](F)(F)F.N1(OC(N(C)C)=[N+](C)C)C2C=CC=CC=2N=N1.C(N(CC)C(C)C)(C)C.[CH3:53][N:54]([CH3:56])[NH2:55]>CN(C=O)C>[CH3:53][N:54]([CH3:56])[NH:55][C:18]([C:14]1[S:13][C:12](/[CH:11]=[CH:10]/[C:9]2[C:5]([CH2:1][CH2:2][CH2:3][CH3:4])=[N:6][O:7][C:8]=2[CH3:21])=[N:16][C:15]=1[CH3:17])=[O:20] | 1 |
[C:1]([NH:9][C:10]1[C:18]2[C:13](=[CH:14][CH:15]=[CH:16][CH:17]=2)[NH:12][C:11]=1[C:19]([O:21]CC)=O)(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.P(Cl)(Cl)(Cl)=O.[NH3:29]>C(O)(C)C>[C:1]([NH:9][C:10]1[C:18]2[C:13](=[CH:14][CH:15]=[CH:16][CH:17]=2)[NH:12][C:11]=1[C:19]([NH2:29])=[O:21])(=[O:8])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([O:10][CH2:11][C:12]#[N:13])=[C:6]([CH:9]=1)[C:7]#[N:8].C(=O)([O-])[O-].[K+].[K+]>CN(C)C=O>[NH2:8][C:7]1[C:6]2[CH:9]=[C:2]([Cl:1])[CH:3]=[CH:4][C:5]=2[O:10][C:11]=1[C:12]#[N:13] | 2 |
NC=1C=CC(=NC1)Cl.ClC1=NC(=CC=C1[N+](=O)[O-])C>C1CCCO1.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C([O-])([O-])=O.[Na+].[Na+].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>ClC1=CC=C(C=N1)NC1=NC(=CC=C1[N+](=O)[O-])C | 3 |
[OH-].[Li+].C[O:4][C:5](=[O:39])[CH:6]([C:15]1[CH:20]=[CH:19][C:18]([O:21][CH2:22][C:23]2[CH:24]=[C:25]([C:29]3[CH:34]=[CH:33][C:32]([C:35]([F:38])([F:37])[F:36])=[CH:31][CH:30]=3)[CH:26]=[CH:27][CH:28]=2)=[CH:17][CH:16]=1)[CH2:7][C:8]([O:10][C:11]([CH3:14])([CH3:13])[CH3:12])=[O:9]>CO.C1COCC1.O>[C:11]([O:10][C:8](=[O:9])[CH2:7][CH:6]([C:15]1[CH:16]=[CH:17][C:18]([O:21][CH2:22][C:23]2[CH:24]=[C:25]([C:29]3[CH:34]=[CH:33][C:32]([C:35]([F:37])([F:38])[F:36])=[CH:31][CH:30]=3)[CH:26]=[CH:27][CH:28]=2)=[CH:19][CH:20]=1)[C:5]([OH:39])=[O:4])([CH3:14])([CH3:12])[CH3:13] | 1 |
C(OC([N:8]1[CH2:14][CH2:13][C:12]2[C:15]([CH2:20][S:21][C:22]3[S:23][C:24]([NH:27][CH2:28][CH:29]4[CH2:31][CH2:30]4)=[N:25][N:26]=3)=[C:16]([Cl:19])[CH:17]=[CH:18][C:11]=2[CH2:10][CH2:9]1)=O)(C)(C)C.FC(F)(F)C(O)=O>C(Cl)Cl>[Cl:19][C:16]1[CH:17]=[CH:18][C:11]2[CH2:10][CH2:9][NH:8][CH2:14][CH2:13][C:12]=2[C:15]=1[CH2:20][S:21][C:22]1[S:23][C:24]([NH:27][CH2:28][CH:29]2[CH2:31][CH2:30]2)=[N:25][N:26]=1 | 1 |
[F:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][C:10]=1[F:11])[NH:7][C:6]([C:12]1[CH:13]=[CH:14][C:15]([O:19][CH3:20])=[C:16]([NH2:18])[CH:17]=1)=[CH:5]2.[Cl:21][C:22]1[CH:23]=[C:24]([S:29](Cl)(=[O:31])=[O:30])[CH:25]=[C:26]([Cl:28])[CH:27]=1.N1C=CC=CC=1>O>[Cl:28][C:26]1[CH:25]=[C:24]([S:29]([NH:18][C:16]2[CH:17]=[C:12]([C:6]3[NH:7][C:8]4[C:4]([CH:5]=3)=[CH:3][C:2]([F:1])=[C:10]([F:11])[CH:9]=4)[CH:13]=[CH:14][C:15]=2[O:19][CH3:20])(=[O:30])=[O:31])[CH:23]=[C:22]([Cl:21])[CH:27]=1 | 1 |
COC([O:5][C:6]1[CH:11]=[CH:10][C:9]([C:12]2[CH:17]=[CH:16][C:15]([C:18]([O:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])=[O:19])=[CH:14][CH:13]=2)=[CH:8][CH:7]=1)=O.N.ClCCl>C(O)C>[OH:5][C:6]1[CH:7]=[CH:8][C:9]([C:12]2[CH:17]=[CH:16][C:15]([C:18]([O:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])=[O:19])=[CH:14][CH:13]=2)=[CH:10][CH:11]=1 | 1 |
NC1=C(C=CC=C1)C(F)(F)F.ClC1=CC=C(C=C1)C(CCC(=O)C1=CC=C(C#N)C=C1)=O>O1CCOCC1.C1(=CC=C(C=C1)S(=O)(=O)O)C>ClC1=CC=C(C=C1)C1=CC=C(N1C1=C(C=CC=C1)C(F)(F)F)C1=CC=C(C#N)C=C1 | 3 |
FC(F)(F)I.C(C#CC)N1C(=NC(=C1C(=O)OCC)C=O)N1CCN(CC1)C(=O)OC(C)(C)C>N(C)(C)C=O.[Zn]>C(C#CC)N1C(=NC(=C1C(=O)OCC)C(C(F)(F)F)O)N1CCN(CC1)C(=O)OC(C)(C)C | 3 |
Br[C:2]1[CH:7]=[CH:6][C:5]([CH:8]([C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)[C:9]([CH3:15])([CH3:14])[C:10]([O:12][CH3:13])=[O:11])=[CH:4][CH:3]=1.[NH:22]1[CH2:27][CH2:26][CH2:25][CH2:24][CH2:23]1.C(P(C(C)(C)C)C1C=CC=CC=1C1C=CC=CC=1)(C)(C)C.CC(C)([O-])C.[Na+]>C1(C)C=CC=CC=1.C([O-])(=O)C.[Pd+2].C([O-])(=O)C>[CH3:14][C:9]([CH3:15])([CH:8]([C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1)[C:5]1[CH:6]=[CH:7][C:2]([N:22]2[CH2:27][CH2:26][CH2:25][CH2:24][CH2:23]2)=[CH:3][CH:4]=1)[C:10]([O:12][CH3:13])=[O:11] | 1 |
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