smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
Br.BrCC(=O)C1=CC=NC=C1.COC1=C(C=CC=C1)NC(=S)N>>COC1=C(C=CC=C1)NC=1SC=C(N1)C1=CC=NC=C1 | 5 |
[CH2:1]1[O:9][C:8]2[CH:7]=[CH:6][C:5]([N+:10]([O-:12])=[O:11])=[CH:4][C:3]=2[O:2]1.[C:13]([NH:16][CH2:17]CO)(=[O:15])[CH3:14]>>[OH:2][C:3]1[CH:4]=[C:5]([N+:10]([O-:12])=[O:11])[CH:6]=[CH:7][C:8]=1[O:9][CH2:1][CH2:17][NH:16][C:13](=[O:15])[CH3:14] | 1 |
[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([N:10]2[C:18]3[C:13](=[CH:14][CH:15]=[CH:16][CH:17]=3)[C:12]([C:19]([O:21][CH3:22])=[O:20])=[N:11]2)=[CH:6][CH:5]=1)([O-])=O.CO.CC(O)=O>CCOC(C)=O.[Pd]>[NH2:1][C:4]1[CH:9]=[CH:8][C:7]([N:10]2[C:18]3[C:13](=[CH:14][CH:15]=[CH:16][CH:17]=3)[C:12]([C:19]([O:21][CH3:22])=[O:20])=[N:11]2)=[CH:6][CH:5]=1 | 2 |
ClC1=NC(=NC(=C1)Cl)CCl>N(C)(C)C=O.O.C1CCNC1.CCN(CC)CC.C(C)(=O)OCC>ClC1=NC(=NC(=C1)N1CCCC1)CCl | 3 |
CC1=C(C(=CC(=C1)C)C)O>C(C)(=O)O.[O].[C].[Pt]>CC=1C=C(C=O)C=C(C1O)C | 3 |
Cl.C(C)(C)ON.Cl.Cl.CC1=NC=CC2=CC(=CC=C12)C1=CC2=C(OC3(CCNCC3)OC2)C=C1>C1CCCO1.ClCCl.C(=O)(C=1NC=CN1)C=1NC=CN1.C(C)(C)N(C(C)C)CC>C(C)(C)ONC(=O)N1CCC2(CC1)OCC1=C(O2)C=CC(=C1)C=1C=C2C=CN=C(C2=CC1)C | 3 |
N1CCNCC1.BrC1=CC(=C(C=C1)OC)S(=O)(=O)C>>CS(=O)(=O)C=1C=C(C=CC1OC)N1CCNCC1 | 5 |
BrC1=CC=2CCC2C=C1>N(C)(C)C=O.O.C1CCCO1.CCO[H].C(CCC)[Li].CCCCCC>C1=2C=C(C=CC2CC1)C=O | 3 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[N:11]3[CH:12]=[CH:13][CH:14]=[C:10]3[C@@H:9]([CH2:15][C:16]([NH:18][CH2:19][CH2:20][C:21]([O:23]CC)=[O:22])=[O:17])[O:8][C@H:7]([C:26]3[CH:31]=[CH:30][CH:29]=[C:28]([O:32][CH3:33])[C:27]=3[O:34][CH3:35])[C:6]=2[CH:36]=1.C(=O)([O-])[O-].[K+].[K+].Cl.C(OCC)(=O)C>CO.O.O1CCCC1.CCCCCC>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[N:11]3[CH:12]=[CH:13][CH:14]=[C:10]3[C@@H:9]([CH2:15][C:16]([NH:18][CH2:19][CH2:20][C:21]([OH:23])=[O:22])=[O:17])[O:8][C@H:7]([C:26]3[CH:31]=[CH:30][CH:29]=[C:28]([O:32][CH3:33])[C:27]=3[O:34][CH3:35])[C:6]=2[CH:36]=1 | 2 |
CC([O-])(C)C.[K+].[S:7]1[CH:11]=[CH:10][CH:9]=[C:8]1[S:12][C:13]1[NH:14][CH:15]=[CH:16][CH:17]=1.Br[CH2:19][C:20]([O:22][CH2:23][CH3:24])=[O:21].O>O1CCCC1.C1OCCOCCOCCOCCOCCOC1>[CH2:23]([O:22][C:20](=[O:21])[CH2:19][N:14]1[CH:15]=[CH:16][CH:17]=[C:13]1[S:12][C:8]1[S:7][CH:11]=[CH:10][CH:9]=1)[CH3:24] | 2 |
C(=O)(OC(C)(C)C)N1CCNCC1.ClC=1C=CC(=NC1)Br>C1(=CC=CC=C1)C.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.CC(C)(C)[O-].[Na+]>ClC=1C=CC(=NC1)N1CCN(CC1)C(=O)OC(C)(C)C | 3 |
Cl[C:2]1[CH:7]=[CH:6][C:5]([NH:8][C:9]([NH:11][C:12]2[CH:17]=[CH:16][CH:15]=[C:14]([C:18]3[CH:23]=[CH:22][CH:21]=[C:20]([N:24]4[CH2:28][CH2:27][CH2:26][CH2:25]4)[N:19]=3)[CH:13]=2)=[O:10])=[CH:4][CH:3]=1.[F:29]C1C=CC(N)=CC=1.CCN(C(C)C)C(C)C>CN(C=O)C>[F:29][C:2]1[CH:7]=[CH:6][C:5]([NH:8][C:9]([NH:11][C:12]2[CH:17]=[CH:16][CH:15]=[C:14]([C:18]3[CH:23]=[CH:22][CH:21]=[C:20]([N:24]4[CH2:28][CH2:27][CH2:26][CH2:25]4)[N:19]=3)[CH:13]=2)=[O:10])=[CH:4][CH:3]=1 | 2 |
[N+:1]([C:4]1[CH:15]=[CH:14][C:7]([CH2:8][CH:9]([C:12]#[N:13])[C:10]#[N:11])=[CH:6][CH:5]=1)([O-:3])=[O:2].[H-].[Na+].Br[CH2:19][CH2:20][C:21]([F:24])([F:23])[F:22]>CN(C)C=O>[N+:1]([C:4]1[CH:5]=[CH:6][C:7]([CH2:8][C:9]([CH2:19][CH2:20][C:21]([F:24])([F:23])[F:22])([C:10]#[N:11])[C:12]#[N:13])=[CH:14][CH:15]=1)([O-:3])=[O:2] | 1 |
CB1OB(OB(O1)C)C.BrC1=CC2=C(N(C(C3=CN=CC=C23)=O)C)C=C1OC[C@H](CC(C)C)NC(OC(C)(C)C)=O>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]>CN1C(C2=CN=CC=C2C2=C1C=C(C(=C2)C)OC[C@H](CC(C)C)NC(OC(C)(C)C)=O)=O | 3 |
C(OC([N:8]1[C:16]2[C:11](=[CH:12][CH:13]=[CH:14][CH:15]=2)[CH:10]=[C:9]1[C:17]1[CH:22]=[C:21]([C:23]2[CH:28]=[CH:27][N:26]=[CH:25][CH:24]=2)[N:20]=[N:19][C:18]=1[O:29][CH3:30])=O)(C)(C)C.[C:31]([OH:37])([C:33]([F:36])([F:35])[F:34])=[O:32]>ClCCl>[F:34][C:33]([F:36])([F:35])[C:31]([OH:37])=[O:32].[CH3:30][O:29][C:18]1[N:19]=[N:20][C:21]([C:23]2[CH:28]=[CH:27][N:26]=[CH:25][CH:24]=2)=[CH:22][C:17]=1[C:9]1[NH:8][C:16]2[C:11]([CH:10]=1)=[CH:12][CH:13]=[CH:14][CH:15]=2 | 1 |
BrC1=CC(=NC=C1)NC(=N)NCC1=C(C=CC=C1)OC>>COC1=C(CNC(=N)NC2=NC=CC(=C2)C2=CC=CC=C2)C=CC=C1 | 5 |
FC1=C(CN)C(=CC=C1)Cl.ClC1=C(C=NC=C1)S(=O)(=O)NC1=CC(=C(C=C1)OC)OC>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].C(O)([O-])=O.[Na+]>ClC1=C(CNC2=C(C=NC=C2)S(=O)(=O)NC2=CC(=C(C=C2)OC)OC)C(=CC=C1)F | 3 |
[NH2:1][C:2]1[C:11]2[C:6](=[CH:7][C:8]([O:14][CH3:15])=[C:9]([O:12][CH3:13])[CH:10]=2)[N:5]=[C:4]([Cl:16])[N:3]=1.[CH:17]1([CH:22]([C:31]2[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=2)[C:23]([N:25]2[CH2:30][CH2:29][NH:28][CH2:27][CH2:26]2)=[O:24])[CH2:21][CH2:20][CH2:19][CH2:18]1>C(O)CC(C)C>[ClH:16].[NH2:1][C:2]1[C:11]2[C:6](=[CH:7][C:8]([O:14][CH3:15])=[C:9]([O:12][CH3:13])[CH:10]=2)[N:5]=[C:4]([N:28]2[CH2:29][CH2:30][N:25]([C:23](=[O:24])[CH:22]([CH:17]3[CH2:18][CH2:19][CH2:20][CH2:21]3)[C:31]3[CH:32]=[CH:33][CH:34]=[CH:35][CH:36]=3)[CH2:26][CH2:27]2)[N:3]=1 | 1 |
BrC1=CC2=C(C(N(C2=O)C(=O)OC(C)(C)C)(C)C)S1>>CC1(N(C(C2=C1SC(=C2)B2OC(C(O2)(C)C)(C)C)=O)C(=O)OC(C)(C)C)C | 5 |
[F-].C([N+](CCCC)(CCCC)CCCC)CCC.[N:19]1[CH:24]=[CH:23][C:22]([C:25]2[CH:33]=[C:32]3[C:28]([C:29]([NH:42][C:43](=[O:47])[CH2:44][CH2:45][CH3:46])=[N:30][N:31]3COCC[Si](C)(C)C)=[CH:27][CH:26]=2)=[CH:21][CH:20]=1.C(OCC)(=O)C.C(=O)([O-])O.[Na+]>O1CCCC1>[N:19]1[CH:20]=[CH:21][C:22]([C:25]2[CH:33]=[C:32]3[C:28]([C:29]([NH:42][C:43](=[O:47])[CH2:44][CH2:45][CH3:46])=[N:30][NH:31]3)=[CH:27][CH:26]=2)=[CH:23][CH:24]=1 | 1 |
CC(=C)C.C(=O)(O)C(CC=1C=C(C(=O)O)C=CC1)CCC=C>S(O)(O)(=O)=O.ClCCl.C(O)([O-])=O.[Na+]>C(C)(C)(C)OC(=O)C(CC=1C=C(C(=O)OC(C)(C)C)C=CC1)CCC=C | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([C:11]2[CH:15]=[CH:14][N:13]([CH2:16][C@@H:17]([NH:19][C:20]([C:22]3[NH:26][N:25]=[C:24]([C:27]4[N:28]=[CH:29][N:30](C(C5C=CC=CC=5)(C5C=CC=CC=5)C5C=CC=CC=5)[CH:31]=4)[CH:23]=3)=[O:21])[CH3:18])[N:12]=2)[CH:5]=[C:6]([F:10])[C:7]=1[C:8]#[N:9].C(O)=O.C1COCC1>O>[Cl:1][C:2]1[CH:3]=[C:4]([C:11]2[CH:15]=[CH:14][N:13]([CH2:16][C@@H:17]([NH:19][C:20]([C:22]3[NH:26][N:25]=[C:24]([C:27]4[N:28]=[CH:29][NH:30][CH:31]=4)[CH:23]=3)=[O:21])[CH3:18])[N:12]=2)[CH:5]=[C:6]([F:10])[C:7]=1[C:8]#[N:9] | 1 |
FC1=CC=C(C=N1)C=1C=2N(C=C(C1)C=1C=NN(C1)C)N=CC2C#N.Cl.N1C[C@@H](OCC1)C(=O)O>Cl.C([O-])([O-])=O.[K+].[K+].CS(=O)C>C(#N)C=1C=NN2C1C(=CC(=C2)C=2C=NN(C2)C)C=2C=CC(=NC2)N2C[C@@H](OCC2)C(=O)O | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C=CC[C@@H](C(=O)O)N>C1(=CC=CC=C1)C.O.Cl.O1CCOCC1.C(O)([O-])=O.[Na+]>C(C)(C)(C)OC(N(C)C)OC(C)(C)C.C(C)(C)(C)OC(=O)N[C@H](C(=O)O)CC=C.C(C)(C)(C)OC([C@H](CC=C)NC(=O)OC(C)(C)C)=O | 3 |
NC1=CC=C(C(=O)OCC)C=C1.N([C@@H](CC1=CC=CC=C1)C(=O)O)C(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12>N(C)(C)C=O.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>C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N[C@H](C(=O)NC1=CC=C(C(=O)OCC)C=C1)CC1=CC=CC=C1 | 3 |
[CH2:1]([O:3][C:4]([C:6]1[C:7]([NH:12][CH2:13][C:14]2[CH:15]=[C:16](B(O)O)[CH:17]=[C:18]([O:20][CH:21]([CH3:23])[CH3:22])[CH:19]=2)=[N:8][CH:9]=[CH:10][CH:11]=1)=[O:5])[CH3:2].[Br:27][C:28]1[CH:29]=[C:30]2[C:36](I)=[CH:35][N:34]([S:38]([C:41]3[CH:46]=[CH:45][CH:44]=[CH:43][CH:42]=3)(=[O:40])=[O:39])[C:31]2=[N:32][CH:33]=1.C([O-])([O-])=O.[K+].[K+].O>O1CCOCC1>[Br:27][C:28]1[CH:29]=[C:30]2[C:36]([C:16]3[CH:15]=[C:14]([CH:19]=[C:18]([O:20][CH:21]([CH3:23])[CH3:22])[CH:17]=3)[CH2:13][NH:12][C:7]3[N:8]=[CH:9][CH:10]=[CH:11][C:6]=3[C:4]([O:3][CH2:1][CH3:2])=[O:5])=[CH:35][N:34]([S:38]([C:41]3[CH:46]=[CH:45][CH:44]=[CH:43][CH:42]=3)(=[O:39])=[O:40])[C:31]2=[N:32][CH:33]=1 | 2 |
C(C1=CC=CC=C1)NC(C([C@H](C[C@H]1C(NCC1)=O)NC(=O)[C@H]1N(C[C@@H](C1)C(F)(F)F)C(=O)C=1NC2=CC=CC=C2C1)O)=O>ClCCl.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O.C(O)([O-])=O.[Na+].[O-]S(=O)(=S)[O-].[Na+].[Na+]>C(C1=CC=CC=C1)NC(C(C(C[C@H]1C(NCC1)=O)NC(=O)[C@H]1N(C[C@@H](C1)C(F)(F)F)C(=O)C=1NC2=CC=CC=C2C1)=O)=O | 3 |
CC=1C=C(N)C=C(C1)B1OC(C(O1)(C)C)(C)C.BrC1=CN=C(S1)C(C)(C)S(=O)(=O)N>>NC=1C=C(C=C(C1)C)C1=CN=C(S1)C(C)(C)S(=O)(=O)N | 5 |
NC(CC(=O)N1CCC(CC1)N(S(=O)(=O)C1=CC(=CC=C1)C(F)(F)F)C1CC1)CC(C)C>CO[H].C=O.C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>C1(CC1)N(S(=O)(=O)C1=CC(=CC=C1)C(F)(F)F)C1CCN(CC1)C(CC(CC(C)C)NC)=O | 3 |
IC1=CC=C(C=C1)N.NC1=CC=C(C=N1)C#CCNC(COCC1=CC=C(C=C1)F)=O.FC1=CC=C(COCC(=O)NCC#C)C=C1>>NC1=CC=C(C=C1)C#CCNC(COCC1=CC=C(C=C1)F)=O | 5 |
C1(P(=[CH:20][C:21]#[N:22])(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[CH:23]1[CH:24]=[CH:25][C:26]([CH:31]=O)=[C:27]([CH:29]=[O:30])[CH:28]=1>ClCCl>[CH:29]([C:27]1[CH:28]=[CH:23][CH:24]=[CH:25][C:26]=1[CH:31]=[CH:20][C:21]#[N:22])=[O:30] | 1 |
CC(C[Mg]Cl)=C.FC=1C=C(C=CC1C(=O)N(C)OC)NC(=O)C1=NC=CC=C1>C1=CC=NC(=C1)C(=O)O[H].C1CCCO1>FC=1C=C(C=CC1C(CC(=C)C)=O)NC(=O)C1=NC=CC=C1 | 3 |
[N+](=O)([O-])C1=CC=C(C(=O)Cl)C=C1.CC=1C=C2C=CC=CN2C1>>CC=1C=C2C=CC=CN2C1C(=O)C1=CC=C(C=C1)[N+](=O)[O-] | 5 |
Cl.CNC.BrC=1C=C2C=3C(CCCC3N(C2=CC1)C)=O>O.C=O.C(C)(=O)O>Cl.BrC=1C=C2C=3C(C(CCC3N(C2=CC1)C)CN(C)C)=O | 3 |
C#CCCCC.BrC1=C(C=CC=C1)I>CC#N.[Cu]I.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].CCN(CC)CC>BrC1=C(C=CC=C1)C#CCCCC | 3 |
[Li+].CC([N-]C(C)C)C.[N:9]1[CH:14]=[CH:13][CH:12]=[C:11]([CH3:15])[CH:10]=1.[Br:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]Br.[NH4+].[Cl-]>C1COCC1>[N:9]1[CH:14]=[CH:13][CH:12]=[C:11]([CH2:15][CH2:27][CH2:26][CH2:25][CH2:24][CH2:23][CH2:22][CH2:21][CH2:20][CH2:19][CH2:18][CH2:17][Br:16])[CH:10]=1 | 1 |
CC1=NOC(=C1B(O)O)C>C1(=CC=CC=C1)C.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C1(CCCCC1)P(C1=C(C=CC=C1)C1=CC=CC=C1)C1CCCCC1>CC1=NOC(=C1C=1C=CC2=C(C=C(O2)CCO)C1)C | 3 |
[OH:1][C:2]1[C:3]2[C:13]([C:14]3[CH:19]=[CH:18][C:17]([O:20]COC)=[CH:16][CH:15]=3)=[CH:12][S:11][C:4]=2[NH:5][C:6](=[O:10])[C:7]=1[C:8]#[N:9].Cl>C1COCC1>[OH:1][C:2]1[C:3]2[C:13]([C:14]3[CH:19]=[CH:18][C:17]([OH:20])=[CH:16][CH:15]=3)=[CH:12][S:11][C:4]=2[NH:5][C:6](=[O:10])[C:7]=1[C:8]#[N:9] | 1 |
O(C1=CC=CC=C1)C1=NC=CC(=N1)N1CCN(CC1)C=O>CO[H].Cl>O(C1=CC=CC=C1)C1=NC=CC(=N1)N1CCNCC1 | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.COC1=CC(=NC=C1)N>>COC1=CC(=NC=C1)NC(OC(C)(C)C)=O | 5 |
NC=1C=C(C(=O)OC)C=CC1N.C1(=CC=CC=C1)C(SCC(=O)O)(C1=CC=CC=C1)C1=CC=CC=C1>>COC(C1=CC(=C(C=C1)NC(CSC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)=O)NC(CSC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)=O)=O | 5 |
BrC=1C=CC=C2C=C(N(C12)CC1CC1)C(=O)OCC>C1CCCO1.CO[H].Cl.[OH-].[Na+]>BrC=1C=CC=C2C=C(N(C12)CC1CC1)C(=O)O | 3 |
FC1=C(C=CC=C1)[C@]1(NO[C@H]2[C@@H]1COC2)C>>N[C@](C)(C1=C(C=CC=C1)F)[C@@H]1[C@@H](COC1)O | 5 |
CC=1N=CSC1C=O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].C[Si](C(F)(F)F)(C)C>FC(C(O)C1=C(N=CS1)C)(F)F | 3 |
[CH2:1]([O:3][C:4]([CH:6]1[CH2:11][CH2:10][CH2:9][CH2:8][N:7]1[N:12]=[CH:13][C:14]1[CH:19]=[CH:18][C:17]([F:20])=[CH:16][CH:15]=1)=[O:5])[CH3:2].C(O)(=O)C.C([BH3-])#N.[Na+]>CO>[CH2:1]([O:3][C:4]([CH:6]1[CH2:11][CH2:10][CH2:9][CH2:8][N:7]1[NH:12][CH2:13][C:14]1[CH:19]=[CH:18][C:17]([F:20])=[CH:16][CH:15]=1)=[O:5])[CH3:2] | 2 |
[CH3:1][N:2]1[CH:6]=[C:5]([CH2:7][NH2:8])[N:4]=[CH:3]1.C(=O)([O-])[O-].[K+].[K+].Br[CH2:16][C:17]([O:19][CH2:20][C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1)=[O:18]>C(#N)C>[CH3:1][N:2]1[CH:6]=[C:5]([CH2:7][NH:8][CH2:16][C:17]([O:19][CH2:20][C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=2)=[O:18])[N:4]=[CH:3]1 | 2 |
[Cl:1][C:2]1[C:3]([F:31])=[C:4]([CH:8]2[C:12]([C:15]3[CH:20]=[CH:19][C:18]([Cl:21])=[CH:17][C:16]=3[F:22])([C:13]#[N:14])[CH:11]([CH2:23][C:24]([CH3:27])([CH3:26])[CH3:25])[NH:10][CH:9]2[C:28](O)=[O:29])[CH:5]=[CH:6][CH:7]=1.[NH2:32][C:33]1[CH:37]=[CH:36][S:35][C:34]=1[C:38](=[O:40])[CH3:39].CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C>C(Cl)Cl>[C:38]([C:34]1[S:35][CH:36]=[CH:37][C:33]=1[NH:32][C:28]([CH:9]1[CH:8]([C:4]2[CH:5]=[CH:6][CH:7]=[C:2]([Cl:1])[C:3]=2[F:31])[C:12]([C:15]2[CH:20]=[CH:19][C:18]([Cl:21])=[CH:17][C:16]=2[F:22])([C:13]#[N:14])[CH:11]([CH2:23][C:24]([CH3:26])([CH3:27])[CH3:25])[NH:10]1)=[O:29])(=[O:40])[CH3:39] | 1 |
ClC1=NC=C(C(=N1)N1C(COCC1)C(=O)NC1CC1)F>>ClC1=NC=2N3C(C(N(C2C=N1)C1CC1)=O)COCC3 | 5 |
Br[CH:2]([CH2:18][N:19]1[CH2:24][CH2:23][N:22]([C:25]2[CH:30]=[CH:29][C:28]([F:31])=[CH:27][CH:26]=2)[CH2:21][CH2:20]1)[CH2:3][N:4]1[C:8]2[CH:9]=[CH:10][CH:11]=[C:12]3[CH:13]=[CH:14][CH:15]=[C:6]([C:7]=23)[S:5]1(=[O:17])=[O:16].[CH2:32]([N:34](CC)[CH2:35]C)C.CNC>C1(C)C=CC=CC=1>[CH3:32][N:34]([CH3:35])[CH:2]([CH2:18][N:19]1[CH2:24][CH2:23][N:22]([C:25]2[CH:30]=[CH:29][C:28]([F:31])=[CH:27][CH:26]=2)[CH2:21][CH2:20]1)[CH2:3][N:4]1[C:8]2[CH:9]=[CH:10][CH:11]=[C:12]3[CH:13]=[CH:14][CH:15]=[C:6]([C:7]=23)[S:5]1(=[O:17])=[O:16] | 1 |
[C:1](C1NC2C(C=1)=CC=CC=2)([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])=[O:2].C(O[B:21]([O-:23])[O-:22])(C)C.[Li+].C[CH:26]([N-:28][CH:29]([CH3:31])[CH3:30])[CH3:27].Cl.[CH2:33]1[CH2:37][O:36][CH2:35][CH2:34]1>>[C:1]([N:28]1[C:29]2[C:30](=[CH:33][CH:34]=[C:35]([O:36][CH3:37])[CH:31]=2)[CH:27]=[C:26]1[B:21]([OH:22])[OH:23])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])=[O:2] | 1 |
[CH3:1][O:2][C:3]1[N:8]=[C:7]([NH:9][CH2:10][C:11]([O:13][CH3:14])=[O:12])[C:6]([N+:15]([O-])=O)=[CH:5][CH:4]=1.[CH3:18][C:19]([CH3:26])([CH3:25])[C:20](=O)[C:21](O)=[O:22]>C(O)(=O)C>[C:19]([C:20]1[C:21](=[O:22])[N:9]([CH2:10][C:11]([O:13][CH3:14])=[O:12])[C:7]2[N:8]=[C:3]([O:2][CH3:1])[CH:4]=[CH:5][C:6]=2[N:15]=1)([CH3:26])([CH3:25])[CH3:18] | 2 |
F[C:2]1[C:3]([N+:15]([O-:17])=[O:16])=[C:4]2[C:9](=[CH:10][C:11]=1[F:12])[NH:8][C:7](=[O:13])[C:6](=[O:14])[NH:5]2.[OH-:18].[Na+].Cl>O>[F:12][C:11]1[CH:10]=[C:9]2[C:4]([NH:5][C:6](=[O:14])[C:7](=[O:13])[NH:8]2)=[C:3]([N+:15]([O-:17])=[O:16])[C:2]=1[OH:18] | 1 |
BrC1=CC=CC2=C1SC=C2.FC=1C=CC(=C(C1)B(O)O)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].C1(=C(C=CC=C1)P(C(C)(C)C)C(C)(C)C)C1=CC=CC=C1>S1C2=C(C=C1)C=CC=C2C2=C(C=CC(=C2)F)O | 3 |
FC(S(=O)(=O)OC=1C=C2CCC=3N=C(OC3C2=CC1)C1=C(C(=NO1)C1=CC=CC=C1)C(F)(F)F)(F)F>>C1(=CC=CC=C1)C1=NOC(=C1C(F)(F)F)C=1OC2=C(N1)CCC1=CC(=CC=C12)C=C | 5 |
[F:1][C:2]1[CH:31]=[CH:30][C:5]([CH2:6][N:7]2[CH2:22][CH:21]([CH2:23][CH2:24][N:25](OC)[CH3:26])[N:10]3[C:11](=[O:20])[N:12]([CH:17]([CH3:19])[CH3:18])[C:13](=[O:16])[C:14]([OH:15])=[C:9]3[C:8]2=[O:29])=[CH:4][CH:3]=1>CO>[F:1][C:2]1[CH:3]=[CH:4][C:5]([CH2:6][N:7]2[CH2:22][CH:21]([CH2:23][CH2:24][NH:25][CH3:26])[N:10]3[C:11](=[O:20])[N:12]([CH:17]([CH3:19])[CH3:18])[C:13](=[O:16])[C:14]([OH:15])=[C:9]3[C:8]2=[O:29])=[CH:30][CH:31]=1 | 1 |
[F:1][CH:2]([F:28])[C:3]1[CH:12]=[C:11]2[C:6]([C:7](=[O:19])[N:8]([NH:14][S:15]([CH3:18])(=[O:17])=[O:16])[C:9](=[O:13])[NH:10]2)=[CH:5][C:4]=1[C:20]1[N:21]([CH:25]([CH3:27])[CH3:26])[N:22]=[CH:23][CH:24]=1.[C:29](Cl)(=[O:32])[CH2:30][CH3:31]>>[F:28][CH:2]([F:1])[C:3]1[CH:12]=[C:11]2[C:6]([C:7](=[O:19])[N:8]([N:14]([C:29](=[O:32])[CH2:30][CH3:31])[S:15]([CH3:18])(=[O:16])=[O:17])[C:9](=[O:13])[NH:10]2)=[CH:5][C:4]=1[C:20]1[N:21]([CH:25]([CH3:26])[CH3:27])[N:22]=[CH:23][CH:24]=1 | 2 |
FC1=CC=C(C=C1)N1N=C(C=C1C1=CC2=C(OCC(N2)=O)C=C1)C(C)O>>C(C)(=O)C1=NN(C(=C1)C1=CC2=C(OCC(N2)=O)C=C1)C1=CC=C(C=C1)F | 5 |
[C@@H:1]1([O:12][C:13]2[C:17]([CH2:18][C:19]3[CH:24]=[CH:23][C:22]([O:25][CH:26]([CH3:28])[CH3:27])=[CH:21][CH:20]=3)=[C:16]([CH3:29])[NH:15][N:14]=2)[O:9][C@H:8]([CH2:10][OH:11])[C@@H:6]([OH:7])[C@H:4]([OH:5])[C@H:2]1[OH:3].[CH2:30]([O:37][C:38](ON1C(=O)CCC1=O)=[O:39])[C:31]1[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1>O1CCCC1>[CH2:30]([O:37][C:38]([N:15]1[C:16]([CH3:29])=[C:17]([CH2:18][C:19]2[CH:24]=[CH:23][C:22]([O:25][CH:26]([CH3:27])[CH3:28])=[CH:21][CH:20]=2)[C:13]([O:12][C@@H:1]2[O:9][C@H:8]([CH2:10][OH:11])[C@@H:6]([OH:7])[C@H:4]([OH:5])[C@H:2]2[OH:3])=[N:14]1)=[O:39])[C:31]1[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1 | 1 |
Br[CH2:2][C:3]([C:5]1[N:9]([CH2:10][CH:11]2[CH2:16][CH2:15][CH2:14][CH2:13][CH2:12]2)[C:8]([CH3:17])=[C:7]([C:18]([O:20][CH2:21][CH3:22])=[O:19])[CH:6]=1)=[O:4].[P:23]([O:30]CC)([O:27][CH2:28][CH3:29])[O:24][CH2:25][CH3:26]>>[CH:11]1([CH2:10][N:9]2[C:5]([C:3](=[O:4])[CH2:2][P:23]([O:27][CH2:28][CH3:29])([O:24][CH2:25][CH3:26])=[O:30])=[CH:6][C:7]([C:18]([O:20][CH2:21][CH3:22])=[O:19])=[C:8]2[CH3:17])[CH2:16][CH2:15][CH2:14][CH2:13][CH2:12]1 | 2 |
FC(C=1C=C(C=CC1)S(=O)(=O)CCCl)(F)F.SC1=NC2=CC=CC=C2C=C1C(=O)NCC=1SC=CC1>>S1C(=CC=C1)CNC(=O)C=1C(=NC2=CC=CC=C2C1)SCCS(=O)(=O)C1=CC(=CC=C1)C(F)(F)F | 5 |
[CH3:1][C:2]1[CH:7]=[C:6]([O:8][C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)[CH:5]=[CH:4][C:3]=1[N+:15]([O-:17])=[O:16].C(O[CH:21](OCC)[N:22]([CH3:24])[CH3:23])C>CN(C)C=O.C(OCC)C>[CH3:21][N:22]([CH3:24])[CH:23]=[CH:1][C:2]1[CH:7]=[C:6]([O:8][C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)[CH:5]=[CH:4][C:3]=1[N+:15]([O-:17])=[O:16] | 2 |
C(C)(C)(C)[Si](C)(C)Cl.FC1=CC=C(C=C1)C=1C=2C=C(C=NC2CCC1)CO>>[Si](C)(C)(C(C)(C)C)OCC=1C=NC=2CCC=C(C2C1)C1=CC=C(C=C1)F | 5 |
C1(CC1)C1=CC=C(C=C1C1=C(C=CC(=C1)OC)F)CO>ClCCl.ClS(Cl)=O>ClCC=1C=C(C(=CC1)C1CC1)C1=C(C=CC(=C1)OC)F | 3 |
C(Cl)(=O)C(Cl)=O.CS(C)=O.O[CH:12]([N:26]1[C@H:29]([CH2:30][C:31]([S:33][C@H:34]2[CH2:38][CH2:37][N:36]([C:39](=[N:41][C:42]([O:44][CH2:45][C:46]3[CH:51]=[CH:50][C:49]([N+:52]([O-:54])=[O:53])=[CH:48][CH:47]=3)=[O:43])[CH3:40])[CH2:35]2)=[O:32])[C@H:28]([C@H:55]([O:57][C:58]([O:60][CH2:61][C:62]2[CH:67]=[CH:66][C:65]([N+:68]([O-:70])=[O:69])=[CH:64][CH:63]=2)=[O:59])[CH3:56])[C:27]1=[O:71])[C:13]([O:15][CH2:16][C:17]1[CH:22]=[CH:21][C:20]([N+:23]([O-:25])=[O:24])=[CH:19][CH:18]=1)=O.C(N(CC)CC)C.P([O-])([O-])([O-])=O>C(Cl)Cl>[N+:52]([C:49]1[CH:50]=[CH:51][C:46]([CH2:45][O:44][C:42]([N:41]=[C:39]([N:36]2[CH2:37][CH2:38][C@H:34]([S:33][C:31]([CH2:30][C@H:29]3[N:26]([CH2:12][CH2:13][O:15][CH2:16][C:17]4[CH:22]=[CH:21][C:20]([N+:23]([O-:25])=[O:24])=[CH:19][CH:18]=4)[C:27](=[O:71])[C@@H:28]3[C@H:55]([O:57][C:58]([O:60][CH2:61][C:62]3[CH:67]=[CH:66][C:65]([N+:68]([O-:70])=[O:69])=[CH:64][CH:63]=3)=[O:59])[CH3:56])=[O:32])[CH2:35]2)[CH3:40])=[O:43])=[CH:47][CH:48]=1)([O-:54])=[O:53] | 1 |
[C:1]([O:5][C:6](=[O:16])[NH:7][CH2:8][C:9]1[CH:14]=[CH:13][C:12]([Br:15])=[CH:11][CH:10]=1)([CH3:4])([CH3:3])[CH3:2].[CH3:17]I>CN(C=O)C>[C:1]([O:5][C:6](=[O:16])[N:7]([CH2:8][C:9]1[CH:10]=[CH:11][C:12]([Br:15])=[CH:13][CH:14]=1)[CH3:17])([CH3:4])([CH3:2])[CH3:3] | 1 |
OC1=CC=NC2=CC=C(N=C12)OC>>ClC1=CC=NC2=CC=C(N=C12)OC | 5 |
S(=O)(=O)(O)O.[CH2:6]([NH:9][CH:10]1[CH2:16][CH2:15][C:14]2[CH:17]=[CH:18][CH:19]=[CH:20][C:13]=2[CH:12](O)[CH2:11]1)[CH:7]=[CH2:8]>O1CCOCC1>[CH2:6]([NH:9][CH:10]1[CH:11]=[CH:12][C:13]2[CH:20]=[CH:19][CH:18]=[CH:17][C:14]=2[CH2:15][CH2:16]1)[CH:7]=[CH2:8] | 1 |
O=C1CC(C2=CC=CC=C12)C(=O)O.CC1=C(N=C(O1)C1=CC=CC=C1)COC1=CC=C(CON)C=C1>CCO[H].C(C)(=O)O.C(C)(=O)[O-].[Na+]>CC1=C(N=C(O1)C1=CC=CC=C1)COC1=CC=C(CO\N=C\2/CC(C3=CC=CC=C23)C(=O)O)C=C1 | 3 |
BrC=1C=CC(=NC1)F.C(C)(C)(C)OC(=O)N1CC2(C1)CNC2>CS(=O)C.C(C)(C)N(C(C)C)CC>BrC=1C=CC(=NC1)N1CC2(CN(C2)C(=O)OC(C)(C)C)C1 | 3 |
BrC=1C=C(C=CC1)NC1=NC=NC2=CC(=C(C=C12)OCCN(C[C@H](C)O)CC(=O)OC(C)(C)C)OC>>BrC=1C=C(C=CC1)NC1=NC=NC2=CC(=C(C=C12)OCCN1CC(O[C@H](C1)C)=O)OC | 5 |
IC=1C=NC=CC1C.FC(OC1=CC=C2CCNC(C2=C1)=O)(F)F>[Cu]I.O1CCOCC1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].N[C@H]1CCCC[C@@H]1N>CC1=C(C=NC=C1)N1C(C2=CC(=CC=C2CC1)OC(F)(F)F)=O | 3 |
FC1=C(C(=CC=C1)F)C1=NC(=C2N1C=CNC2=O)NC2=CC=C(C=C2)C(C(=O)OCC)(C)C>CCO[H].[HH].[Pd]>FC1=C(C(=CC=C1)F)C1=NC(=C2N1CCNC2=O)NC2=CC=C(C=C2)C(C(=O)OCC)(C)C | 3 |
[CH:1]1([CH2:7][CH:8](O)[CH:9]=[CH2:10])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.C([O:14][C:15](=[O:25])[CH:16]([CH:22]([CH3:24])[CH3:23])C(OCC)=O)C>CCO.CCO.CCO.CCO.[Ti]>[CH:1]1([CH2:7][CH:8]=[CH:9][CH2:10][CH:16]([CH:22]([CH3:24])[CH3:23])[C:15]([OH:25])=[O:14])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1 | 1 |
Cl[CH2:2][CH2:3][CH2:4][C:5]([C:7]1[CH:12]=[CH:11][C:10]([O:13][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)=[CH:9][CH:8]=1)=[O:6].[NH:20]1[CH2:25][CH2:24][CH:23]([C:26]2[CH:27]=[C:28]([NH:32][C:33]([CH:35]3[CH2:37][CH2:36]3)=[O:34])[CH:29]=[CH:30][CH:31]=2)[CH2:22][CH2:21]1>>[O:6]=[C:5]([C:7]1[CH:12]=[CH:11][C:10]([O:13][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)=[CH:9][CH:8]=1)[CH2:4][CH2:3][CH2:2][N:20]1[CH2:25][CH2:24][CH:23]([C:26]2[CH:27]=[C:28]([NH:32][C:33]([CH:35]3[CH2:36][CH2:37]3)=[O:34])[CH:29]=[CH:30][CH:31]=2)[CH2:22][CH2:21]1 | 1 |
OC1=CC(OC=2C1=NC=CC2)=O>N(C)(C)C=O.P(=O)(Cl)(Cl)Cl>ClC1=C(C(OC=2C1=NC=CC2)=O)C=O | 3 |
[OH:1][C@@H:2]([C@H:4]1[C:24](=[O:25])[N:6]2[C:7]([C:21]([O-:23])=[O:22])=[C:8]([S:11]/[CH:12]=[CH:13]\[C:14]3[S:18][CH:17]=[N:16][C:15]=3[CH2:19][OH:20])[C@H:9]([CH3:10])[C@H:5]12)[CH3:3].[Na+].[N:27]1([C:33]([O:35][CH2:36]I)=[O:34])[CH2:32][CH2:31][CH2:30][CH2:29][CH2:28]1>>[OH:1][C@@H:2]([C@H:4]1[C:24](=[O:25])[N:6]2[C:7]([C:21]([O:23][CH2:36][O:35][C:33]([N:27]3[CH2:32][CH2:31][CH2:30][CH2:29][CH2:28]3)=[O:34])=[O:22])=[C:8]([S:11]/[CH:12]=[CH:13]\[C:14]3[S:18][CH:17]=[N:16][C:15]=3[CH2:19][OH:20])[C@H:9]([CH3:10])[C@H:5]12)[CH3:3] | 1 |
ClC1=C(C=CC=C1)N=C=S.FC(C=1C=C(C(=O)NC=2C=C(C(=O)NN)C=CC2)C=CC1)(F)F>C1CCCO1>ClC1=C(C=CC=C1)NC(NNC(C1=CC(=CC=C1)NC(C1=CC(=CC=C1)C(F)(F)F)=O)=O)=S | 3 |
CC1=C(C=CC=C1)O.BrCC(=O)N1CCC2(CC1)C(NC1=CC=CC=C12)=O>>CC1=C(OCC(=O)N2CCC3(CC2)C(NC2=CC=CC=C23)=O)C=CC=C1 | 5 |
[Cl:1][C:2]1[CH:23]=[C:22]([Cl:24])[CH:21]=[CH:20][C:3]=1[CH2:4][N:5]1[C:9](/[CH:10]=[CH:11]/[C:12]([OH:14])=O)=[CH:8][C:7]([O:15][CH2:16][CH2:17][O:18][CH3:19])=[N:6]1.[CH2:25]([S:30]([NH2:33])(=[O:32])=[O:31])[CH2:26][CH2:27][CH2:28][CH3:29].N12CCCN=C1CCCCC2>CN(C)C=O>[Cl:1][C:2]1[CH:23]=[C:22]([Cl:24])[CH:21]=[CH:20][C:3]=1[CH2:4][N:5]1[C:9](/[CH:10]=[CH:11]/[C:12]([NH:33][S:30]([CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])(=[O:32])=[O:31])=[O:14])=[CH:8][C:7]([O:15][CH2:16][CH2:17][O:18][CH3:19])=[N:6]1 | 2 |
CN1CCOCC1.O.[C:9]([NH:16][C@H:17]([C:22]([OH:24])=O)[CH2:18][CH:19]([CH3:21])[CH3:20])([O:11][C:12]([CH3:15])([CH3:14])[CH3:13])=[O:10].C1C=CC2N(O)N=NC=2C=1.[NH2:35][C@H:36]([C:41]([O:43][CH3:44])=[O:42])[CH2:37][CH:38]([CH3:40])[CH3:39].Cl.C1CCC(N=C=NC2CCCCC2)CC1>C(OCC)(=O)C>[NH:16]([C:9]([O:11][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:10])[C@H:17]([C:22]([NH:35][C@H:36]([C:41]([O:43][CH3:44])=[O:42])[CH2:37][CH:38]([CH3:40])[CH3:39])=[O:24])[CH2:18][CH:19]([CH3:20])[CH3:21] | 1 |
C(CC)(=O)Cl.ClC=1C=C(C=CC1C)O>>ClC1=CC(=C(C=C1C)C(CC)=O)O | 5 |
C([O:8][C:9]1[CH:14]=[CH:13][CH:12]=[C:11]([C:15]([OH:17])=[O:16])[C:10]=1[CH2:18][CH2:19][CH2:20][C:21]([OH:23])=[O:22])C1C=CC=CC=1>C(O)C.[Pd]>[OH:8][C:9]1[CH:14]=[CH:13][CH:12]=[C:11]([C:15]([OH:17])=[O:16])[C:10]=1[CH2:18][CH2:19][CH2:20][C:21]([OH:23])=[O:22] | 1 |
NC=1C=C(C(=O)O)C=C(C1)OC>C1CCCO1.ClS(Cl)=O.CCO[H].[H-].[Al+3].[Li+].[H-].[H-].[H-]>NC=1C=CC(=C(C(=O)OCC)C1)Cl.NC=1C=C(C=C(C1)OC)CO.OCC=1C=C(C=C(C1)OC)NC(C(=O)C1=CNC2=CC=CC=C12)C1=CC=CC=C1 | 3 |
[F:1][C:2]1[CH:7]=[C:6]([CH3:8])[CH:5]=[CH:4][C:3]=1[NH:9][C:10]1[CH:18]=[C:17]2[C:13]([C:14]([CH2:19][N:20]([CH3:28])[C:21](=[O:27])[O:22][C:23]([CH3:26])([CH3:25])[CH3:24])=[CH:15][NH:16]2)=[CH:12][CH:11]=1.[H-].[Na+].[C:31]1([S:37](Cl)(=[O:39])=[O:38])[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1.[Cl-].[NH4+]>CN(C)C=O>[F:1][C:2]1[CH:7]=[C:6]([CH3:8])[CH:5]=[CH:4][C:3]=1[NH:9][C:10]1[CH:18]=[C:17]2[C:13]([C:14]([CH2:19][N:20]([CH3:28])[C:21](=[O:27])[O:22][C:23]([CH3:25])([CH3:24])[CH3:26])=[CH:15][N:16]2[S:37]([C:31]2[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=2)(=[O:39])=[O:38])=[CH:12][CH:11]=1 | 2 |
C(OC([N:8]1[CH2:13][CH2:12][C:11]([F:29])([CH2:14][NH:15][C:16]2[NH:17][C:18]3[CH:24]=[C:23]([C:25]([O:27][CH3:28])=[O:26])[CH:22]=[CH:21][C:19]=3[N:20]=2)[CH2:10][CH2:9]1)=O)(C)(C)C.[ClH:30].O1CCOCC1>CO>[ClH:30].[CH3:28][O:27][C:25]([C:23]1[CH:22]=[CH:21][C:19]2[N:20]=[C:16]([NH:15][CH2:14][C:11]3([F:29])[CH2:12][CH2:13][NH:8][CH2:9][CH2:10]3)[NH:17][C:18]=2[CH:24]=1)=[O:26] | 1 |
Cl.CNOC.C1(CCCCC1)C(=O)O>CC#N.C(C)(C)N(C(C)C)CC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.[B-](F)(F)(F)F>CN(C(=O)C1CCCCC1)OC | 3 |
N1C=NC(=C1)C=1C=C(CN2CCC3(CN(C(N3CC3=CC=C(C=C3)OC)=O)CC(=O)NC3=CC=C(C=C3)C(F)(F)F)CC2)C=CC1>C(=O)(C(F)(F)F)O>N1C=NC(=C1)C=1C=C(CN2CCC3(CN(C(N3)=O)CC(=O)NC3=CC=C(C=C3)C(F)(F)F)CC2)C=CC1 | 3 |
Br[C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][CH:9]=1)[CH:5]=[O:6].[CH:10]#[C:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21]>C(N(CC)CC)C.C(OCC)(=O)C.[Cu]I>[C:10]([C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][CH:9]=1)[CH:5]=[O:6])#[C:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21] | 1 |
FC(S(=O)(=O)OC1=C[C@H](CC1)C1=CC=C(C=C1)OC)(F)F>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+]>COC1=CC=C(C=C1)[C@@H]1C=C(CC1)B1OC(C(O1)(C)C)(C)C | 3 |
C(C1=CC=CC=C1)O>ClCCl.P(=O)(Cl)(Cl)Cl>ClCC1=CC=C(C=C1)C1=NN(C=C1C(=O)NC1=CC(=CC=C1)F)C1=CC=C(C=C1)C#N | 3 |
BrC1=CC=C(C=C1)C.C[Sn](C)(C)Cl>C(C)OCC.C(CCC)[Li]>C[Sn](C1=CC=C(C=C1)C)(C)C | 3 |
[CH3:1][O:2][C:3]1[CH:12]=[CH:11][C:10]2[NH:9][C:8](=[O:13])[C:7]3[S:14][CH:15]=[CH:16][C:6]=3[C:5]=2[C:4]=1[C:17]1[CH:22]=[CH:21][C:20]([C@@H:23]([CH3:33])[CH2:24][NH:25]C(=O)OC(C)(C)C)=[CH:19][CH:18]=1>C(O)(C(F)(F)F)=O>[NH2:25][CH2:24][C@@H:23]([C:20]1[CH:19]=[CH:18][C:17]([C:4]2[C:5]3[C:6]4[CH:16]=[CH:15][S:14][C:7]=4[C:8](=[O:13])[NH:9][C:10]=3[CH:11]=[CH:12][C:3]=2[O:2][CH3:1])=[CH:22][CH:21]=1)[CH3:33] | 1 |
[CH2:1]([O:3][C:4](=[O:17])[CH2:5][O:6][C:7]1[CH:12]=[CH:11][C:10]([N+:13]([O-])=O)=[CH:9][C:8]=1[F:16])[CH3:2].Cl>CCO.[Pd]>[CH2:1]([O:3][C:4](=[O:17])[CH2:5][O:6][C:7]1[CH:12]=[CH:11][C:10]([NH2:13])=[CH:9][C:8]=1[F:16])[CH3:2] | 1 |
ClC1=NC=CC2=CC=C(C=C12)OC>CCO[H].N>COC1=CC=C2C=CN=C(C2=C1)N | 3 |
[NH2:1][C:2]1[CH:3]=[CH:4][C:5]([F:22])=[C:6]([C@:8]2([CH3:21])[C@@H:13]([O:14][CH2:15][C:16]([F:19])([F:18])[F:17])[CH2:12][O:11][C:10]([NH2:20])=[N:9]2)[CH:7]=1.[C:23]([C:25]1[CH:26]=[CH:27][C:28]([C:31](O)=[O:32])=[N:29][CH:30]=1)#[N:24]>>[NH2:20][C:10]1[O:11][CH2:12][C@H:13]([O:14][CH2:15][C:16]([F:18])([F:19])[F:17])[C@:8]([C:6]2[CH:7]=[C:2]([NH:1][C:31]([C:28]3[CH:27]=[CH:26][C:25]([C:23]#[N:24])=[CH:30][N:29]=3)=[O:32])[CH:3]=[CH:4][C:5]=2[F:22])([CH3:21])[N:9]=1 | 1 |
[N+:1]([C:4]([N+:8]([O-:10])=[O:9])(O)[CH2:5]C)([O-:3])=[O:2].[CH2:11]([CH:17]([CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[C:18]([OH:20])=[O:19])[CH2:12][CH2:13][CH2:14][CH2:15][CH3:16].Cl[CH:30](Cl)C>>[N+:1]([C:4]([N+:8]([O-:10])=[O:9])([CH3:5])[CH2:30][O:19][C:18](=[O:20])[CH:17]([CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16])[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])([O-:3])=[O:2] | 1 |
[F:1][C:2]([F:33])([F:32])[C:3]([N:5]1[CH2:10][CH2:9][CH:8]([CH2:11][O:12][C:13]2[CH:22]=[C:21]3[C:16]([CH:17]([C:24]4[CH:29]=[CH:28][C:27]([O:30][CH3:31])=[CH:26][CH:25]=4)[CH2:18][N:19]([CH3:23])[CH2:20]3)=[CH:15][CH:14]=2)[CH2:7][CH2:6]1)=O.[H-].[H-].[H-].[H-].[Li+].[Al+3].[NH4+].[Cl-]>C1COCC1.[OH-].[Na+]>[CH3:31][O:30][C:27]1[CH:26]=[CH:25][C:24]([CH:17]2[C:16]3[C:21](=[CH:22][C:13]([O:12][CH2:11][CH:8]4[CH2:9][CH2:10][N:5]([CH2:3][C:2]([F:33])([F:1])[F:32])[CH2:6][CH2:7]4)=[CH:14][CH:15]=3)[CH2:20][N:19]([CH3:23])[CH2:18]2)=[CH:29][CH:28]=1 | 2 |
C1CCC2=C(C=CC=C12)NC(C)=O>O.BrBr.C(C)(=O)O>BrC1=C2CCCC2=C(C=C1)NC(C)=O | 3 |
Cl[S:2]([C:5]1[CH:10]=[CH:9][C:8]([N:11]=[C:12]=[O:13])=[CH:7][CH:6]=1)(=[O:4])=[O:3].[CH3:14][O:15][C:16]1[CH:25]=[CH:24][C:23]([N:26]2[CH2:31][CH2:30][N:29]([CH3:32])[CH2:28][CH2:27]2)=[C:22]2[C:17]=1[CH2:18][CH2:19][NH:20][CH2:21]2.[CH3:33][O:34][C:35]1[C:36]([NH2:41])=[CH:37][CH:38]=[CH:39][CH:40]=1>>[CH3:33][O:34][C:35]1[CH:40]=[CH:39][CH:38]=[CH:37][C:36]=1[NH:41][S:2]([C:5]1[CH:10]=[CH:9][C:8]([NH:11][C:12]([N:20]2[CH2:19][CH2:18][C:17]3[C:22](=[C:23]([N:26]4[CH2:27][CH2:28][N:29]([CH3:32])[CH2:30][CH2:31]4)[CH:24]=[CH:25][C:16]=3[O:15][CH3:14])[CH2:21]2)=[O:13])=[CH:7][CH:6]=1)(=[O:4])=[O:3] | 2 |
NC1C=CC([C:6](O)=[O:7])=CC=1.N1C=CC(=O)NC1=[O:13].[C@@H:19]1(N2C=CC(=O)NC2=O)[O:27][C@H:24]([CH2:25][OH:26])[C@@H:22]([OH:23])[C@H:20]1[OH:21].[Na+].[Cl-]>>[O:7]=[CH:6][C@@H:25]([C@H:24]([C@@H:22]([C@@H:20]([CH2:19][OH:27])[OH:21])[OH:23])[OH:13])[OH:26] | 1 |
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