smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
N[C@]12[C@@H]([C@H]3CC[C@@H]4[C@]5(CC=C(C([C@@H]5CC[C@]4([C@@]3(CC1)C)C)(C)C)C1=CC[C@@](CC1)(C(=O)OCC1=CC=CC=C1)CF)C)[C@@H](CC2)C(=C)C.C(C)C(CC=O)(CC)O>>C(C)C(CCN[C@]12[C@@H]([C@H]3CC[C@@H]4[C@]5(CC=C(C([C@@H]5CC[C@]4([C@@]3(CC1)C)C)(C)C)C1=CC[C@@](CC1)(C(=O)OCC1=CC=CC=C1)CF)C)[C@@H](CC2)C(=C)C)(CC)O | 5 |
C[O:2][C:3]1[CH:4]=[C:5]([C:9]2[C:10]3[CH2:24][CH2:23][CH2:22][N:21]([C:25]4[CH:30]=[CH:29][N:28]=[CH:27]N=4)[C:11]=3[N:12]=[C:13]([N:15]3[CH2:20][CH2:19][O:18][CH2:17][CH2:16]3)[N:14]=2)[CH:6]=[CH:7][CH:8]=1.[CH2:31]([S-])C.[Na+].O.C(OCC)(=O)C>CN(C)C=O>[N:15]1([C:13]2[N:14]=[C:9]([C:5]3[CH:4]=[C:3]([OH:2])[CH:8]=[CH:7][CH:6]=3)[C:10]3[CH2:24][CH2:23][CH2:22][N:21]([C:25]4[CH:31]=[CH:27][N:28]=[CH:29][CH:30]=4)[C:11]=3[N:12]=2)[CH2:20][CH2:19][O:18][CH2:17][CH2:16]1 | 1 |
C([O-])([O-])=O.[K+].[K+].C(=O)(OC(Cl)C)[O:8][C@:9]([C:19]1[CH:24]=[C:23]([Cl:25])[CH:22]=[CH:21][C:20]=1[NH:26][C:27]([C@@]12C(C)(C)[C@@](C)(CC1)C(=O)O2)=[O:28])([C:14]#[C:15][CH:16]1[CH2:18][CH2:17]1)[C:10]([F:13])([F:12])[F:11].C(OC)(C)(C)C.O>CN(C)C=O>[Cl:25][C:23]1[CH:22]=[CH:21][C:20]2[NH:26][C:27](=[O:28])[O:8][C@:9]([C:14]#[C:15][CH:16]3[CH2:18][CH2:17]3)([C:10]([F:13])([F:12])[F:11])[C:19]=2[CH:24]=1 | 1 |
C(C)(=O)N1[C@H]([C@@H]([C@H](C2=CC(=CC=C12)C(=O)O)NC1=NC(=NC=C1)C)C)C1CC1>>C(C)(=O)N1[C@H]([C@@H]([C@H](C2=CC(=CC=C12)C(=O)NCCO)NC1=NC(=NC=C1)C)C)C1CC1 | 5 |
BrCCO.OC=1C=C2C(=CN=C(C2=CC1OC)CC1=CC(=CC=C1)OCC)C=O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(C)OC=1C=C(CC2=NC=C(C3=CC(=C(C=C23)OC)OCCO)C=O)C=CC1 | 3 |
C(CCC(=O)O)(=O)O.ClC1=C(C2=C(CCNCC2)C=C1)CSC=1SCCN1>>C(CCC(=O)O)(=O)O.ClC1=C(C2=C(CCNCC2)C=C1)CSC=1SCCN1 | 5 |
FC1=C(C=CC=C1)B(O)O.ClC1=CC2=C(N(C(NC2=O)=O)C=2C(=NC=CC2C)C(C)C)N=C1Cl>O.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)(=O)[O-].[K+]>ClC1=CC2=C(N(C(NC2=O)=O)C=2C(=NC=CC2C)C(C)C)N=C1C1=C(C=CC=C1)F | 3 |
C1(CCCC1)S(=O)(=O)Cl.BrC1=CC=C(C=C1)N1CCNCC1>>C1(CCCC1)S(=O)(=O)N1CCN(CC1)C1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C | 5 |
Cl.FC1(C2CNCC12)F.FC1=CC=C(C(=N1)C)C(C1=NN(C(=C1)C(=O)OCC)C)O>C([O-])([O-])=O.[K+].[K+].CS(=O)C>FC1(C2CN(CC12)C1=CC=C(C(=N1)C)C(C1=NN(C(=C1)C(=O)O)C)O)F | 3 |
CN1CCC(CC1)NC1=CC(=NC2=CC=NC=C12)C1=CC=C(C=C1)CCC(=O)O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.C(C)NCC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C(C)N(C(CCC1=CC=C(C=C1)C1=NC2=CC=NC=C2C(=C1)NC1CCN(CC1)C)=O)CC | 3 |
C[O:2][C:3]1[CH:8]=[CH:7][C:6]([N:9]2[C:13]3[CH:14]=[CH:15][CH:16]=[CH:17][C:12]=3[N:11]=[C:10]2[C:18]2[CH:22]=[CH:21][S:20][C:19]=2[CH3:23])=[CH:5][CH:4]=1.B(Br)(Br)Br>C(Cl)Cl>[CH3:23][C:19]1[S:20][CH:21]=[CH:22][C:18]=1[C:10]1[N:9]([C:6]2[CH:5]=[CH:4][C:3]([OH:2])=[CH:8][CH:7]=2)[C:13]2[CH:14]=[CH:15][CH:16]=[CH:17][C:12]=2[N:11]=1 | 2 |
[CH2:1]([O:3][C:4](=[O:18])[CH:5]([O:15][CH2:16][CH3:17])[CH2:6][C:7]1[CH:12]=[CH:11][C:10]([OH:13])=[CH:9][C:8]=1[CH3:14])[CH3:2].[CH:19]1([CH:22]([C:24]2[S:28][C:27]([C:29]3[CH:34]=[CH:33][C:32]([C:35]([F:38])([F:37])[F:36])=[CH:31][CH:30]=3)=[N:26][C:25]=2[CH3:39])O)[CH2:21][CH2:20]1.C(P(CCCC)CCCC)CCC.CN(C)C(N=NC(N(C)C)=O)=O>>[CH2:1]([O:3][C:4](=[O:18])[CH:5]([O:15][CH2:16][CH3:17])[CH2:6][C:7]1[CH:12]=[CH:11][C:10]([O:13][CH:22]([CH:19]2[CH2:20][CH2:21]2)[C:24]2[S:28][C:27]([C:29]3[CH:30]=[CH:31][C:32]([C:35]([F:37])([F:38])[F:36])=[CH:33][CH:34]=3)=[N:26][C:25]=2[CH3:39])=[CH:9][C:8]=1[CH3:14])[CH3:2] | 1 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][C:12]=1[O:13][CH3:14])[N:9]=[CH:8][N:7]=[C:6]2[N:15]1[CH2:20][CH2:19][N:18]([C:21]2[N:26]=[CH:25][C:24]([OH:27])=[CH:23][N:22]=2)[CH2:17][CH2:16]1.Br[CH2:29][C:30]1[CH:35]=[CH:34][C:33]([C:36]([F:39])([F:38])[F:37])=[CH:32][CH:31]=1.C(=O)([O-])[O-].[K+].[K+]>CN(C)C=O.O>[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][C:12]=1[O:13][CH3:14])[N:9]=[CH:8][N:7]=[C:6]2[N:15]1[CH2:16][CH2:17][N:18]([C:21]2[N:26]=[CH:25][C:24]([O:27][CH2:29][C:30]3[CH:31]=[CH:32][C:33]([C:36]([F:37])([F:38])[F:39])=[CH:34][CH:35]=3)=[CH:23][N:22]=2)[CH2:19][CH2:20]1 | 2 |
FC1=CC=C(C=C1)C1=CC(=NN1)O.BrCC(CBr)(C)C>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].[Cl-].[Li+]>FC1=CC=C(C=C1)C1=NN2C(OCC(C2)(C)C)=C1 | 3 |
[CH2:1]([C:5]1[N:6]([CH2:11][C:12]2[CH:17]=[CH:16][C:15]([C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=3[C:24]#[N:25])=[CH:14][CH:13]=2)[C:7](=[S:10])[NH:8][N:9]=1)[CH2:2][CH2:3][CH3:4].C(N(CC)C(C)C)(C)C.[N+:35]([C:38]1[CH:45]=[CH:44][C:41]([CH2:42]Br)=[CH:40][CH:39]=1)([O-:37])=[O:36]>COCCO>[CH2:1]([C:5]1[N:6]([CH2:11][C:12]2[CH:17]=[CH:16][C:15]([C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=3[C:24]#[N:25])=[CH:14][CH:13]=2)[C:7]([S:10][CH2:42][C:41]2[CH:44]=[CH:45][C:38]([N+:35]([O-:37])=[O:36])=[CH:39][CH:40]=2)=[N:8][N:9]=1)[CH2:2][CH2:3][CH3:4] | 1 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:12]([CH3:13])=[C:11]([C:14]([C:16]3[CH:21]=[CH:20][C:19]([F:22])=[CH:18][CH:17]=3)=[O:15])[C:10]([CH3:23])=[N:9]2)=[CH:4][C:3]=1[Cl:24].[CH3:25][Mg]Br>>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:12]([CH3:13])=[C:11]([C:14]([C:16]3[CH:21]=[CH:20][C:19]([F:22])=[CH:18][CH:17]=3)([OH:15])[CH3:25])[C:10]([CH3:23])=[N:9]2)=[CH:4][C:3]=1[Cl:24] | 2 |
CN(C)/[CH:3]=[CH:4]/[C:5]([C:7]1[C:8]([C:20]2[CH:25]=[CH:24][C:23]([F:26])=[CH:22][CH:21]=2)=[N:9][N:10]2[CH:15]=[C:14]([C:16]([F:19])([F:18])[F:17])[CH:13]=[CH:12][C:11]=12)=O.Cl.[CH:29]1([NH:34][C:35]([NH2:37])=[NH:36])[CH2:33][CH2:32][CH2:31][CH2:30]1.C(=O)([O-])[O-].[K+].[K+].CCOCC>CN1CCCC1=O.O>[CH:29]1([NH:34][C:35]2[N:37]=[C:5]([C:7]3[C:8]([C:20]4[CH:21]=[CH:22][C:23]([F:26])=[CH:24][CH:25]=4)=[N:9][N:10]4[CH:15]=[C:14]([C:16]([F:18])([F:17])[F:19])[CH:13]=[CH:12][C:11]=34)[CH:4]=[CH:3][N:36]=2)[CH2:33][CH2:32][CH2:31][CH2:30]1 | 1 |
NC1=C2C(=NC=N1)N(N=C2C2=CC=C(C=C2)OC2=CC=CC=C2)C2CCC1(CN(C1)C(=O)OC(C)(C)C)CC2>C(=O)O>O(C1=CC=CC=C1)C1=CC=C(C=C1)C1=NN(C2=NC=NC(=C21)N)C2CCC1(CNC1)CC2 | 3 |
CS(=O)(=O)O[C@@H](C)[C@H]1CN(C(C1)=O)[C@H](C)C1=CC=CC=C1.BrC1=CC2=C(N(C=N2)C)C(=C1)O>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>BrC1=CC2=C(N(C=N2)C)C(=C1)O[C@H](C)[C@@H]1CC(N(C1)[C@H](C)C1=CC=CC=C1)=O | 3 |
C(C)(C)(C)OC(=O)NCC(=O)OCC=C(C)C>>C(C)(C)(C)OC(=O)NC(C(=O)O)C(C=C)(C)C | 5 |
C(#N)C1=CC=C(CN)C=C1>O.[Cu]>NCC1=CC=C(C(=O)N)C=C1 | 3 |
S1C=CC=C1>CC#N.[O].[N+](=O)([O-])[O-].[NH4+].[Ce+4].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]>C1CCCS1=O | 3 |
[C:1]([O:4][C@@H:5]1[C@@H:10]([O:11]CC=C)[C@H:9]([O:15][CH2:16][C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)[C@@H:8]([CH2:23][O:24][CH2:25][C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=2)[O:7][C@H:6]1[O:32][C@H:33]1[C@H:46]([O:47][CH2:48][C:49]2[CH:54]=[CH:53][CH:52]=[CH:51][CH:50]=2)[C@@H:45]([CH2:55][O:56][CH2:57][C:58]2[CH:63]=[CH:62][CH:61]=[CH:60][CH:59]=2)[O:44][C@@H:35]([O:36][CH2:37][C:38]2[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=2)[C@@H:34]1[O:64][C:65](=[O:67])[CH3:66])(=[O:3])[CH3:2].C1N2CCN(CC2)C1.ClCCl>C(O)C.C1(C)C=CC=CC=1.O.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.[Cl-].[Rh]>[C:1]([O:4][C@@H:5]1[C@@H:10]([OH:11])[C@H:9]([O:15][CH2:16][C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)[C@@H:8]([CH2:23][O:24][CH2:25][C:26]2[CH:27]=[CH:28][CH:29]=[CH:30][CH:31]=2)[O:7][C@H:6]1[O:32][C@H:33]1[C@H:46]([O:47][CH2:48][C:49]2[CH:54]=[CH:53][CH:52]=[CH:51][CH:50]=2)[C@@H:45]([CH2:55][O:56][CH2:57][C:58]2[CH:59]=[CH:60][CH:61]=[CH:62][CH:63]=2)[O:44][C@@H:35]([O:36][CH2:37][C:38]2[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=2)[C@@H:34]1[O:64][C:65](=[O:67])[CH3:66])(=[O:3])[CH3:2] | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]([C:20]([O:22]C)=O)[C:5]([C:13]2[CH:18]=[CH:17][CH:16]=[C:15]([F:19])[CH:14]=2)=[C:6]([N+:10]([O-:12])=[O:11])[C:7]=1[C:8]#N.[H-].C([Al+]CC(C)C)C(C)C.CCCCCC.Cl.[OH2:41]>C(Cl)Cl>[Cl:1][C:2]1[CH:3]=[C:4]([CH2:20][OH:22])[C:5]([C:13]2[CH:18]=[CH:17][CH:16]=[C:15]([F:19])[CH:14]=2)=[C:6]([N+:10]([O-:12])=[O:11])[C:7]=1[CH:8]=[O:41] | 1 |
C1(CC1)C#C.BrC=1C=CC2=C(C1)C1=CC(=CC=C1C=1NC(=NC12)C1=C(C=CC=C1F)Cl)C(C(F)(F)F)(C(F)(F)F)O>>ClC1=C(C(=CC=C1)F)C1=NC2=C(N1)C1=CC=C(C=C1C=1C=C(C=CC12)C#CC1CC1)C(C(F)(F)F)(C)O | 5 |
C1(CC1)CC(=O)N(C)OC.BrC1=CC(=C(C=C1)F)I>C1CCCO1.[Cl-].[NH4+].C(C)(C)[Mg]Cl>BrC=1C=CC(=C(C1)C(CC1CC1)=O)F | 3 |
[F:1][C:2]([F:26])([F:25])[S:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][O:10][C:11]1[CH:16]=[C:15]([S:17][CH2:18][C:19]([F:22])([F:21])[F:20])[C:14]([Cl:23])=[CH:13][C:12]=1[Cl:24].ClC1C=CC=C(C(OO)=[O:35])C=1.C(OC(=O)C)C.CCCCCC>C(Cl)(Cl)Cl>[F:26][C:2]([F:1])([F:25])[S:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][O:10][C:11]1[CH:16]=[C:15]([S:17]([CH2:18][C:19]([F:20])([F:21])[F:22])=[O:35])[C:14]([Cl:23])=[CH:13][C:12]=1[Cl:24] | 1 |
[OH:1][CH:2]([C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1)[C:3]#[CH:4].C([Mg]Cl)#C.C(=O)C1C=CC=CC=1.Br[C:24]1[CH:32]=[CH:31][CH:30]=[C:29]2[C:25]=1/[C:26](=[CH:34]/[C:35]1[NH:36][CH:37]=[CH:38][C:39]=1[O:40][CH3:41])/[C:27](=[O:33])[NH:28]2>[Cu]I.CN(C=O)C.CCN(CC)CC>[OH:1][CH:2]([C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1)[C:3]#[C:4][C:24]1[CH:32]=[CH:31][CH:30]=[C:29]2[C:25]=1/[C:26](=[CH:34]/[C:35]1[NH:36][CH:37]=[CH:38][C:39]=1[O:40][CH3:41])/[C:27](=[O:33])[NH:28]2 | 1 |
[F:1][C:2]([F:9])([F:8])[C:3](=[CH2:7])[C:4](O)=[O:5].[NH2:10][C:11]1[CH:18]=[CH:17][C:14]([C:15]#[N:16])=[C:13]([C:19]([F:22])([F:21])[F:20])[CH:12]=1>S(Cl)(Cl)=O.C(OCC)C>[C:15]([C:14]1[CH:17]=[CH:18][C:11]([NH:10][C:4](=[O:5])[C:3]([C:2]([F:9])([F:8])[F:1])=[CH2:7])=[CH:12][C:13]=1[C:19]([F:20])([F:21])[F:22])#[N:16] | 1 |
N(C)OC.BrC1=CC(=C(C(=O)O)C=C1)OC(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>BrC1=CC(=C(C(=O)N(C)OC)C=C1)OC(F)(F)F | 3 |
[Cl-].[Al+3].[Cl-].[Cl-].[C:5](Cl)(=O)[CH3:6].[CH:9]1([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[CH2:14][CH2:13][CH2:12][CH2:11][CH2:10]1.[OH2:21]>ClCCl>[CH2:18]1[CH2:17][CH2:16][CH:15]([CH2:9][C:14]([C:13]2[CH:12]=[CH:11][CH:10]=[CH:6][CH:5]=2)=[O:21])[CH2:20][CH2:19]1 | 1 |
IC1=C(N=C2N1C=CC=C2)C(=O)OCC>CN1C(CCC1)=O.[Cu+].[C-]#N.C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O>C(#N)C1=C(N=C2N1C=CC=C2)C(=O)OCC | 3 |
C1(=CC=CC=C1)OC(NC1=CC(=CC(=C1)C1=NN=NN1C)CC)=O.FC1=CC=C(C=C1)CCN1CC(C(CC1)(C)C)CN>>C(C)C=1C=C(C=C(C1)C1=NN=NN1C)NC(=O)NCC1CN(CCC1(C)C)CCC1=CC=C(C=C1)F | 5 |
[N+:1]([O-:4])(O)=[O:2].FC(F)(F)S(O)(=O)=O.[CH3:13][C:14]1([CH3:32])[C:18]2[N+:19]([O-:29])=[C:20]([C:23]3[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=3)[N:21]=[N:22][C:17]=2[C:16]([CH3:31])([CH3:30])[O:15]1.C(=O)(O)[O-].[Na+]>C(Cl)Cl>[CH3:13][C:14]1([CH3:32])[C:18]2[N+:19]([O-:29])=[C:20]([C:23]3[CH:28]=[CH:27][CH:26]=[C:25]([N+:1]([O-:4])=[O:2])[CH:24]=3)[N:21]=[N:22][C:17]=2[C:16]([CH3:31])([CH3:30])[O:15]1 | 1 |
[N:1]([C@@H:4]([CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[CH2:5][C:6]([NH2:8])=[O:7])=[N+]=[N-]>[Pd]>[NH2:1][C@@H:4]([CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[CH2:5][C:6]([NH2:8])=[O:7] | 1 |
C(C)(C)(C)OC(=O)N1CC2=C(CC1)N(N=C2C=CCC)CC2=CC=C(C=C2)OC>CO[H].[HH].[Pd]>C(C)(C)(C)OC(=O)N1CC2=C(CC1)N(N=C2CCCC)CC2=CC=C(C=C2)OC | 3 |
[C:1](=O)([S:3][C@@H:4]([C:16]([C:26]1[CH:31]=[C:30]([Br:32])[CH:29]=[CH:28][C:27]=1[F:33])([CH3:25])[NH:17][C:18](=[O:24])[O:19][C:20]([CH3:23])([CH3:22])[CH3:21])[CH2:5][CH2:6][CH2:7][O:8][Si:9]([CH3:15])([CH3:14])[C:10]([CH3:13])([CH3:12])[CH3:11])[CH3:2].C[O-].[Na+].BrCC#[N:41]>CO>[Br:32][C:30]1[CH:29]=[CH:28][C:27]([F:33])=[C:26]([C@@:16]([NH:17][C:18](=[O:24])[O:19][C:20]([CH3:23])([CH3:21])[CH3:22])([CH:4]([S:3][CH2:1][C:2]#[N:41])[CH2:5][CH2:6][CH2:7][O:8][Si:9]([C:10]([CH3:13])([CH3:12])[CH3:11])([CH3:15])[CH3:14])[CH3:25])[CH:31]=1 | 2 |
S(=O)(=O)(OCCCl)C1=CC=C(C)C=C1.ClC=1C=C(C=CC1SC=1N(C=CN1)C)NC1=C(C=NC2=CC3=C(C=C12)C=C(C(=C3)O)OC)C#N>>ClCCOC1=CC2=C(C=C3C(=C(C=NC3=C2)C#N)NC2=CC(=C(C=C2)SC=2N(C=CN2)C)Cl)C=C1OC | 5 |
BrC1=CC(=C(CN2C(C3=C(C=C(C=C3C=N2)C(C)(C)C)F)=O)C=C1)F>O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C(C)(=O)[O-].[K+].C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C(Cl)(Cl)Cl.[Pd].[Pd].P(c2ccccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C3CCCCC3)C4CCCCC4>C(C)(C)(C)C=1C=C2C=NN(C(C2=C(C1)F)=O)CC1=C(C=C(C=C1)B1OC(C(O1)(C)C)(C)C)F | 3 |
ClC=1SC(=C(N1)OCC1=C(C=CC=C1)C(F)(F)F)C(=O)OCC>C1CCCO1.[OH-].[Li+]>ClC=1SC(=C(N1)OCC1=C(C=CC=C1)C(F)(F)F)C(=O)O | 3 |
CNC(=O)C=1C=C(C(=O)OC(C)(C)C)C=C(N1)C(C)C1=CC=CC=C1>C(=O)(C(F)(F)F)O>CNC(=O)C=1C=C(C(=O)O)C=C(N1)C(C)C1=CC=CC=C1 | 3 |
C(C)C1(COC1)C(=O)O.Cl.N[C@H]1[C@@H](CCCC1)N1C(C2=CC(=CC=C2C1)C1=NOC(=N1)C(F)(F)F)=O>N(C)(C)C=O.O.CCN(CC)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C(C)C1(COC1)C(=O)N[C@H]1[C@@H](CCCC1)N1C(C2=CC(=CC=C2C1)C1=NOC(=N1)C(F)(F)F)=O | 3 |
CS([C:5]1[N:12]=[C:11]([CH2:13][O:14][Si:15]([CH:22]([CH3:24])[CH3:23])([CH:19]([CH3:21])[CH3:20])[CH:16]([CH3:18])[CH3:17])[CH:10]=[CH:9][C:6]=1[C:7]#[N:8])(=O)=O.[CH3:25][Mg]Br.[Cl-].[NH4+].O>CCOCC>[CH3:25][C:5]1[N:12]=[C:11]([CH2:13][O:14][Si:15]([CH:22]([CH3:24])[CH3:23])([CH:19]([CH3:21])[CH3:20])[CH:16]([CH3:18])[CH3:17])[CH:10]=[CH:9][C:6]=1[C:7]#[N:8] | 1 |
C(C)OC(=O)C=1C2=C(C=NC1)C(=CS2)COC2=C(C=CC(=C2)NC(C2=CC(=CC=C2)Cl)=O)C>>OCCNC(=O)C=1C2=C(C=NC1)C(=CS2)COC2=C(C=CC(=C2)NC(C2=CC(=CC=C2)Cl)=O)C | 5 |
N1(CC[N:10]2[CH2:15][CH2:14][CH:13]([NH:16][C:17]([C:19]3[NH:20][C:21]4[C:26]([CH:27]=3)=[C:25]([O:28][C:29]3[CH:34]=[CH:33][C:32]([CH3:35])=[CH:31][CH:30]=3)[CH:24]=[CH:23][CH:22]=4)=[O:18])[CH2:12][CH2:11]2)CCCCCC1.NC1CCN(CC2C=CC=CC=2)CC1.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.[B-](F)(F)(F)F.C(N(C(C)C)C(C)C)C>CN(C=O)C>[NH:10]1[CH2:15][CH2:14][CH:13]([NH:16][C:17]([C:19]2[NH:20][C:21]3[C:26]([CH:27]=2)=[C:25]([O:28][C:29]2[CH:30]=[CH:31][C:32]([CH3:35])=[CH:33][CH:34]=2)[CH:24]=[CH:23][CH:22]=3)=[O:18])[CH2:12][CH2:11]1 | 2 |
S1C=CC2=C1C=CC(=C2)C(=O)OC>O.BrBr.C(C)(=O)O.C(C)(=O)[O-].[Na+]>NCC=1C=C(C=CC1)C1=CC(=CC2=C1SC=C2)COC2=C(C=CC(=C2)C)CC(=O)O.BrC1=CC(=CC2=C1SC=C2)C(=O)OC | 3 |
FC(C(=O)NCCNC)(F)F.C(C1=CC=CC=C1)OC(=O)N1C(CCC1=O)=O>>C(C1=CC=CC=C1)OC(N(CCNC(C(F)(F)F)=O)C)=O | 5 |
ClC=1C=C(C=CC1)C(C(OC(=O)N[C@@H](CC(C)C)C(=O)O)C1=CC=CC=C1)(C)C.Cl.NC(C(=O)OC)CC1C(NC(C1)(C)C)=O>N(C)(C)C=O.O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.Cl.CN(CCCN=C=NCC)C>ClC=1C=C(C=CC1)C(C(OC(=O)N[C@H](C(=O)NC(C(=O)OC)CC1C(NC(C1)(C)C)=O)CC(C)C)C1=CC=CC=C1)(C)C | 3 |
FC(C=1C=C(C=C(C1)C(F)(F)F)C=1C=C(C=CC1)CNC(=O)C1C[C@@H](CC1)O)(F)F>O.ClCCl.C(C)N(CC)S(F)(F)F>FC(C=1C=C(C=C(C1)C(F)(F)F)C=1C=C(C=CC1)CNC(=O)C1C[C@H](CC1)F)(F)F | 3 |
O[C@H]1CNCCC1.C(C)C(CN1CCC(CC1)COC1=CC=C(C=C1)C1=CC=C(C=C1)C(=O)O)(CC)F>N(C)(C)C=O.CCN(CC)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1C=CC=C2)O[P+](N(C)C)(N(C)C)N(C)C>C(C)C(CN1CCC(CC1)COC1=CC=C(C=C1)C1=CC=C(C=C1)C(=O)N1C[C@@H](CCC1)O)(CC)F | 3 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([OH:11])=[C:6]([CH:10]=1)[C:7]([OH:9])=O.[Cl:12][C:13]1[CH:19]=[C:18]([O:20][CH3:21])[CH:17]=[CH:16][C:14]=1[NH2:15]>>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([OH:11])=[C:6]([CH:10]=1)[C:7]([NH:15][C:14]1[CH:16]=[CH:17][C:18]([O:20][CH3:21])=[CH:19][C:13]=1[Cl:12])=[O:9] | 2 |
OCC1=CC(=C(C(=C1)C(C)C)CC(=O)OC(C)(C)C)C(C)C>ClCCl.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O>C(=O)C1=CC(=C(C(=C1)C(C)C)CC(=O)OC(C)(C)C)C(C)C | 3 |
[S-]C#N.[NH4+].ClC=1C(=C(C=CC1)N)C>CO[H].II>NC1=C(C(=C(C=C1)SC#N)Cl)C | 3 |
COC1=NN2C(SC=C2)=C1C(=O)O>>COC1=NN2C(SC=C2)=C1NC(OC(C)(C)C)=O | 5 |
[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.[H-].[Na+].Br[CH2:15][C:16]([O:18][CH3:19])=[O:17]>CN(C=O)C>[F:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[N:7]([CH2:15][C:16]([O:18][CH3:19])=[O:17])[C:6]([CH3:11])=[CH:5]2 | 2 |
C(C1=CC=CC=C1)Br.FC1=CC(=C(C=C1)C(C)=O)O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(C1=CC=CC=C1)OC1=C(C=CC(=C1)F)C(C)=O | 3 |
FC1=CC=C(C=C1)CCOS(=O)(=O)C1=CC=C(C=C1)C.Cl.Cl.C(C)OC(=O)[C@@H]1CNCC[C@H]1N(C)CC1=CC=CC=C1>>C(C)OC(=O)[C@@H]1CN(CC[C@H]1N(C)CC1=CC=CC=C1)CCC1=CC=C(C=C1)F | 5 |
[CH2:1]1[C:11]2=[C:12]3[C:7](=[CH:8][CH:9]=[CH:10]2)[CH:6]([N:13]2[CH2:18][CH2:17][CH:16]([N:19]4[C:23]5[CH:24]=[CH:25][CH:26]=[CH:27][C:22]=5[N:21]([CH2:28][CH2:29][CH2:30]O)[C:20]4=[O:32])[CH2:15][CH2:14]2)[CH2:5][CH2:4][CH:3]3[CH2:2]1.[S:33]1[CH2:37][C:36](=[O:38])[NH:35][C:34]1=[O:39].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.N(C(OCC)=O)=NC(OCC)=O>C1COCC1.C1(C)C=CC=CC=1>[CH2:1]1[C:11]2=[C:12]3[C:7](=[CH:8][CH:9]=[CH:10]2)[CH:6]([N:13]2[CH2:18][CH2:17][CH:16]([N:19]4[C:23]5[CH:22]=[CH:27][CH:26]=[CH:25][C:24]=5[N:21]([CH2:28][CH2:29][CH2:30][N:35]5[C:36](=[O:38])[CH2:37][S:33][C:34]5=[O:39])[C:20]4=[O:32])[CH2:15][CH2:14]2)[CH2:5][CH2:4][CH:3]3[CH2:2]1 | 1 |
FC1=C(C=CC(=C1)F)N=C=O.ClC=1C=C(N)C=C(C1OC1=CC=NC2=CC(=C(C=C12)OC)OC)Cl>C(Cl)(Cl)(Cl)[H]>ClC=1C=C(C=C(C1OC1=CC=NC2=CC(=C(C=C12)OC)OC)Cl)NC(=O)NC1=C(C=C(C=C1)F)F | 3 |
NC1=CC=CC=C1.C(C)(C)(C)OC(=O)N1[C@@H](CN(CC1)CC(=O)N1CCC2=CC=C(C=C12)Br)C>C1(=CC=CC=C1)C.[Pd].[Pd].O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.CC(C)(C)[O-].[Na+]>C[C@@H]1CN(CCN1)CC(=O)N1CCC2=CC=C(C=C12)NC1=CC=CC=C1 | 3 |
[CH:1]([C:4]1[C:8]([CH2:9][CH2:10][CH2:11][OH:12])=[CH:7][N:6]([C:13]2[CH:18]=[CH:17][C:16]([C:19]([F:22])([F:21])[F:20])=[CH:15][N:14]=2)[N:5]=1)([CH3:3])[CH3:2].O[C:24]1[C:29]([O:30][CH3:31])=[CH:28][CH:27]=[CH:26][C:25]=1[CH2:32][CH2:33][C:34]([O:36]CC)=[O:35].C(P(CCCC)CCCC)CCC.N(C(N1CCCCC1)=O)=NC(N1CCCCC1)=O>O1CCCC1>[CH:1]([C:4]1[C:8]([CH2:9][CH2:10][CH2:11][O:12][C:24]2[C:29]([O:30][CH3:31])=[CH:28][CH:27]=[CH:26][C:25]=2[CH2:32][CH2:33][C:34]([OH:36])=[O:35])=[CH:7][N:6]([C:13]2[CH:18]=[CH:17][C:16]([C:19]([F:21])([F:20])[F:22])=[CH:15][N:14]=2)[N:5]=1)([CH3:3])[CH3:2] | 2 |
BrC=1C2=C(C=NC1)N=C(N2CC)C=2C(=NON2)N>C1CCCO1.C(CCC)[Li].CCCCCC.CCCC(C)C.CCC(C)CC.COB(OC)OC>NC=1C(=NON1)C=1N(C2=C(C=NC=C2O)N1)CC | 3 |
[N:1]1([CH2:7][C:8]2[CH:13]=[CH:12][C:11]([N:14]3[CH2:19][CH2:18][N:17]([C:20]4[CH:28]=[CH:27][C:23]([C:24]([OH:26])=O)=[CH:22][CH:21]=4)[CH2:16][CH2:15]3)=[CH:10][CH:9]=2)[CH2:6][CH2:5][O:4][CH2:3][CH2:2]1.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.[NH2:62][C@H:63]([C:67]([O:69][CH3:70])=[O:68])[C@@H:64]([CH3:66])[OH:65].Cl>CN(C=O)C.CCOC(C)=O>[CH3:70][O:69][C:67](=[O:68])[C@@H:63]([NH:62][C:24](=[O:26])[C:23]1[CH:22]=[CH:21][C:20]([N:17]2[CH2:16][CH2:15][N:14]([C:11]3[CH:10]=[CH:9][C:8]([CH2:7][N:1]4[CH2:2][CH2:3][O:4][CH2:5][CH2:6]4)=[CH:13][CH:12]=3)[CH2:19][CH2:18]2)=[CH:28][CH:27]=1)[C@H:64]([OH:65])[CH3:66] | 2 |
Br[C:2]1[C:3]2[C:4]([S:20][C:21]3[CH:26]=[CH:25][C:24]([Cl:27])=[CH:23][CH:22]=3)=[C:5]3[CH:14]([CH2:15][C:16]([O:18]C)=[O:17])[CH2:13][CH2:12][N:6]3[C:7]=2[CH:8]=[C:9]([F:11])[CH:10]=1.[S:28]1[C:32]2[CH:33]=[CH:34][CH:35]=[CH:36][C:31]=2[C:30](B(O)O)=[CH:29]1>>[S:28]1[C:32]2[CH:33]=[CH:34][CH:35]=[CH:36][C:31]=2[C:30]([C:2]2[C:3]3[C:4]([S:20][C:21]4[CH:26]=[CH:25][C:24]([Cl:27])=[CH:23][CH:22]=4)=[C:5]4[CH:14]([CH2:15][C:16]([OH:18])=[O:17])[CH2:13][CH2:12][N:6]4[C:7]=3[CH:8]=[C:9]([F:11])[CH:10]=2)=[CH:29]1 | 2 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][CH:12]=1)[CH:9](O)[C:8]([CH3:15])([CH3:14])[CH2:7][CH2:6]2.C([SiH](CC)CC)C.B(F)(F)F.CCOCC.C([O-])([O-])=O.[K+].[K+]>C(Cl)Cl>[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][CH:12]=1)[CH2:9][C:8]([CH3:15])([CH3:14])[CH2:7][CH2:6]2 | 2 |
ClC=1C=2N(C=CC1)C=C(N2)C2=CC=C(C=C2)F>>ClC=1C=2N(C=CC1)C(=C(N2)C2=CC=C(C=C2)F)I | 5 |
[Br-].FC(C(=C)[Zn+])(F)F.BrC1=CC(=C(C(=C1)Cl)OC(F)F)Cl>N(C)(C)C=O.C1CCCO1>ClC=1C=C(C=C(C1OC(F)F)Cl)C(=C)C(F)(F)F | 3 |
[NH2:1][C:2](=[O:31])[CH:3]([OH:30])[CH:4]([NH:9][C:10](=[O:29])[C:11]1[CH:16]=[CH:15][CH:14]=[N:13][C:12]=1[N:17]1[CH:21]=[CH:20][C:19]([CH2:22][N:23]2[CH2:28][CH2:27][CH2:26][CH2:25][CH2:24]2)=[N:18]1)[CH2:5][CH2:6][CH2:7][CH3:8]>C(OCC)(=O)C>[NH2:1][C:2](=[O:31])[C:3](=[O:30])[CH:4]([NH:9][C:10](=[O:29])[C:11]1[CH:16]=[CH:15][CH:14]=[N:13][C:12]=1[N:17]1[CH:21]=[CH:20][C:19]([CH2:22][N:23]2[CH2:28][CH2:27][CH2:26][CH2:25][CH2:24]2)=[N:18]1)[CH2:5][CH2:6][CH2:7][CH3:8] | 1 |
[NH:1]1[CH2:6][CH2:5][CH:4]([CH2:7][NH:8][C:9]([N:11]2[C:15]3C=CC=[CH:19][C:14]=3[N:13](C)[C:12]2=[O:21])=[O:10])[CH2:3][CH2:2]1.[CH2:22]([O:26][C:27]1[CH:32]=[CH:31][C:30](C(C)(C)C)=[CH:29][CH:28]=1)[CH:23]1[O:25][CH2:24]1>>[NH:1]1[CH2:6][CH2:5][CH:4]([CH2:7][NH:8][C:9]([N:11]2[C:32]3[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=3[N:13]([CH:14]([CH3:15])[CH3:19])[C:12]2=[O:21])=[O:10])[CH2:3][CH2:2]1.[O:25]1[CH:23]([CH2:22][O:26][C:27]2[CH:28]=[CH:29][CH:30]=[CH:31][CH:32]=2)[CH2:24]1 | 1 |
NC1=C(C(=O)N[C@@H]2CN(CC2)C(=O)OC(C)(C)C)C=C(C=N1)C1=C(C(=C(C=C1)S(=O)(=O)CCNC(=O)OC(C)(C)C)S(N(CC1=CC=C(C=C1)OC)CC1=CC=C(C=C1)OC)(=O)=O)C=1N=NN(N1)CC1=CC=C(C=C1)OC>C1(=CC=CC=C1)C.ClCCl.C(=O)(C(F)(F)F)O.C1(=CC=CC=C1)OC.C>NC1=C(C(=O)N[C@@H]2CNCC2)C=C(C=N1)C1=C(C(=C(C=C1)S(=O)(=O)CCN)S(N)(=O)=O)C=1N=NNN1 | 3 |
C1(CC1)[B-](F)(F)F.[K+].COC(C(C1=C(C(=C(C=C1C)[N+](=O)[O-])OS(=O)(=O)C(F)(F)F)C=1C=C2CCCOC2=CC1)OC(C)(C)C)=O>O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.O.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>COC(C(C1=C(C(=C(C=C1C)[N+](=O)[O-])C1CC1)C=1C=C2CCCOC2=CC1)OC(C)(C)C)=O | 3 |
C(C(C)C)C1=CC=C(C=C1)C(C(=O)Cl)C.Cl.COC([C@@H](N)CCC(N)C(=O)OC(C)(C)C)=O>ClCCl.CCN(CC)CC>COC([C@@H](NC(C(C)C1=CC=C(C=C1)CC(C)C)=O)CCC(N)C(=O)OC(C)(C)C)=O | 3 |
S1C(=CC=C1)B(O)O.IC=1OC(=C(N1)C(=O)OCC)C1=CC=C(C=C1)OC>CC#N.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]>COC1=CC=C(C=C1)C1=C(N=C(O1)C=1SC=CC1)C(=O)OCC | 3 |
CC1=CC=2C3=C(OC4=C(C2O1)C=CC=C4)C=CC=C3>>O1C(=CC=2C3=C(OC4=C(C12)C=CC=C4)C=CC=C3)C=O | 5 |
[CH2:1]([N:3]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[C:5]([C:12]([C:14]2[CH:22]=[CH:21][CH:20]=[CH:19][C:15]=2[C:16]([OH:18])=[O:17])=[O:13])=[C:4]1[CH3:23])[CH3:2].S(Cl)(Cl)=O.CO.N1C=CC=C[CH:31]=1>C(Cl)CCl>[CH3:31][O:13][C:12]1([C:5]2[C:6]3[C:11](=[CH:10][CH:9]=[CH:8][CH:7]=3)[N:3]([CH2:1][CH3:2])[C:4]=2[CH3:23])[C:14]2[C:15](=[CH:19][CH:20]=[CH:21][CH:22]=2)[C:16](=[O:18])[O:17]1 | 1 |
[NH2:1][C:2]1[N:11]=[C:10]([NH2:12])[C:9]2[C:4](=[CH:5][CH:6]=[C:7]([S:13][C:14]3[CH:23]=[CH:22][C:21]4[C:16](=[CH:17][CH:18]=[CH:19][CH:20]=4)[CH:15]=3)[CH:8]=2)[N:3]=1.[Mn]([O-])(=O)(=O)=[O:25].[K+].[OH2:30]>C(O)(=O)C>[NH2:1][C:2]1[N:11]=[C:10]([NH2:12])[C:9]2[C:4](=[CH:5][CH:6]=[C:7]([S:13]([C:14]3[CH:23]=[CH:22][C:21]4[C:16](=[CH:17][CH:18]=[CH:19][CH:20]=4)[CH:15]=3)(=[O:25])=[O:30])[CH:8]=2)[N:3]=1 | 1 |
C(C1=CC=CC=C1)OC=1C(=CC2=C(N=C[C@H]3N(C2=O)CCCC3)C1)OC>>OC=1C(=CC2=C(N=C[C@H]3N(C2=O)CCCC3)C1)OC | 5 |
ClC1=CC=C(C=C1)/C=C/S(=O)(=O)CCC(=O)O.Cl.Cl.CC1=NC=C2N1C(N(C2)C2CCNCC2)=O>CC#N.CCN(CC)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>ClC1=CC=C(C=C1)/C=C/S(=O)(=O)CCC(=O)N1CCC(CC1)N1C(N2C(C1)=CN=C2C)=O | 3 |
[C:1]([NH:4][CH:5]([C:10]([C:12]1[CH:17]=[CH:16][CH:15]=[C:14]([CH2:18][O:19][CH3:20])[CH:13]=1)=[O:11])[C:6]([O:8][CH3:9])=[O:7])(=O)C.O=P(Cl)(Cl)Cl.O.[OH-].[Na+]>C1(C)C=CC=CC=1>[CH3:20][O:19][CH2:18][C:14]1[CH:13]=[C:12]([C:10]2[O:11][CH:1]=[N:4][C:5]=2[C:6]([O:8][CH3:9])=[O:7])[CH:17]=[CH:16][CH:15]=1 | 2 |
[OH-].[Na+].[CH:3]1([CH2:9][O:10][C:11]2[CH:12]=[C:13]([CH2:17][C:18]([O:20]CC)=[O:19])[CH:14]=[CH:15][CH:16]=2)[CH2:8][CH2:7][CH2:6][CH2:5][CH2:4]1>C(O)(C)(C)C.O.C(OCC)(=O)C>[CH:3]1([CH2:9][O:10][C:11]2[CH:12]=[C:13]([CH2:17][C:18]([OH:20])=[O:19])[CH:14]=[CH:15][CH:16]=2)[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]1 | 1 |
Cl[C:2]([CH3:6])([CH3:5])[C:3]#[CH:4].[I:7][C:8]1[CH:13]=[CH:12][C:11]([OH:14])=[CH:10][C:9]=1[N+:15]([O-:17])=[O:16].C(=O)([O-])[O-].[K+].[K+]>[I-].C([N+](CCCC)(CCCC)CCCC)CCC.CC(C)=O.C(OCC)(=O)C>[I:7][C:8]1[CH:13]=[CH:12][C:11]([O:14][C:2]([CH3:6])([C:3]#[CH:4])[CH3:5])=[CH:10][C:9]=1[N+:15]([O-:17])=[O:16] | 1 |
COC=1C(=NC=NC1)N1CCNCC1.CS(=O)(=O)OCCCC1=CNC2=CC=C(C=C12)CS(=O)(=O)N(C)C>>CN(S(=O)(=O)CC=1C=C2C(=CNC2=CC1)CCCN1CCN(CC1)C1=NC=NC=C1OC)C | 5 |
COC(=O)C=1SC=2C(COC3=C(C2N1)C=C(C=C3)C#CC(C)(C)O)NC(C)=O>>C(C)(=O)NC1COC2=C(C=3N=C(SC13)C(=O)N)C=C(C=C2)C#CC(C)(C)O | 5 |
[C:1]1([S:7]([N:10]2[C:14]3=[N:15][CH:16]=[C:17](Br)[CH:18]=[C:13]3[CH:12]=[C:11]2[CH3:20])(=[O:9])=[O:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH3:21][N:22]1[CH2:27][CH2:26][N:25]([CH2:28][C:29]2[CH:34]=[CH:33][C:32](B(O)O)=[CH:31][CH:30]=2)[CH2:24][CH2:23]1.C(=O)([O-])[O-].[Na+].[Na+]>C(#N)C.Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.O>[CH3:20][C:11]1[N:10]([S:7]([C:1]2[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=2)(=[O:9])=[O:8])[C:14]2=[N:15][CH:16]=[C:17]([C:32]3[CH:31]=[CH:30][C:29]([CH2:28][N:25]4[CH2:26][CH2:27][N:22]([CH3:21])[CH2:23][CH2:24]4)=[CH:34][CH:33]=3)[CH:18]=[C:13]2[CH:12]=1 | 1 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:9]=[C:10]([SH:18])[NH:11][C:12]=2[C:13]2[S:14][CH:15]=[CH:16][CH:17]=2)=[CH:4][CH:3]=1.C(NC(C)C)(C)C.[F:26][C:27]([F:31])=[C:28]([F:30])[F:29].O>CN(C)C=O>[F:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2[N:9]=[C:10]([S:18][C:28]([F:30])([F:29])[CH:27]([F:31])[F:26])[NH:11][C:12]=2[C:13]2[S:14][CH:15]=[CH:16][CH:17]=2)=[CH:6][CH:7]=1 | 1 |
C(C)(=O)Cl.CC1=CCOCC1>O.C1=CC=CC=C1.[Cl-].[Zn+2].[Cl-]>C(C)(=O)OCCC(=CCCl)C | 3 |
Br[C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[CH2:8][N:7]([S:12]([CH3:15])(=[O:14])=[O:13])[CH2:6][CH2:5]2.[OH:16][C:17]1[CH:18]=[C:19](B(O)O)[CH:20]=[CH:21][CH:22]=1.CCO.C([O-])([O-])=O.[Cs+].[Cs+]>O.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[CH3:15][S:12]([N:7]1[CH2:6][CH2:5][C:4]2[C:9](=[CH:10][CH:11]=[C:2]([C:21]3[CH:22]=[C:17]([OH:16])[CH:18]=[CH:19][CH:20]=3)[CH:3]=2)[CH2:8]1)(=[O:14])=[O:13] | 2 |
COC1=C(C=C(C=C1)C=1N=CN(C1)C(=O)N(C)C1CCN(CC1)C(=O)OC(C)(C)C)C>C(=O)(C(F)(F)F)O>Cl.COC1=C(C=C(C=C1)C=1N=CN(C1)C(=O)N(C1CCNCC1)C)C | 3 |
FC=1C2=C(C(=NC1)C)CC(C2)NCCCC2=CN(C(O2)=O)C2=NC1=C(OCC(N1)=O)N=C2>ClCCl.C(=O)(C(F)(F)F)O.CCO[H].C([O-])([O-])=O.[K+].[K+]>C(C)N | 4 |
[O:1]=[C:2]1[CH2:7][CH2:6][CH:5]([C:8]([OH:10])=O)[CH2:4][CH2:3]1.C(Cl)(=O)C(Cl)=O.[CH3:17][C@H:18]1[CH2:23][N:22]([CH2:24][C:25]2[CH:30]=[CH:29][C:28]([NH:31][CH3:32])=[CH:27][C:26]=2C)[CH2:21][CH2:20][N:19]1[C:34]([O:36][C:37]([CH3:40])([CH3:39])[CH3:38])=[O:35].C(N(CC)CC)C>ClCCl.O.CN(C)C=O>[CH3:17][C@H:18]1[CH2:23][N:22]([CH2:24][C:25]2[CH:30]=[CH:29][C:28]([N:31]([CH3:32])[C:8]([CH:5]3[CH2:4][CH2:3][C:2](=[O:1])[CH2:7][CH2:6]3)=[O:10])=[CH:27][CH:26]=2)[CH2:21][CH2:20][N:19]1[C:34]([O:36][C:37]([CH3:38])([CH3:40])[CH3:39])=[O:35] | 1 |
CI.BrC1=CC=C(C(=C1C(=O)O)F)[C@@H]1CC[C@H](CC1)CCCCC>C([O-])([O-])=O.[K+].[K+].CC(=O)C>BrC1=CC=C(C(=C1C(=O)OC)F)C1CCC(CC1)CCCCC | 3 |
C(C1=CC=CC=C1)OCCC1(OCCO1)CC1COC2=C(C=CC(=C2C1S(=O)(=O)C1=CC=C(C=C1)Cl)F)F>>ClC1=CC=C(C=C1)S(=O)(=O)[C@]12C3=C(OC[C@@H]1CC1(OCCO1)CC2)C(=CC=C3F)F | 5 |
NC1CCN(CC1)C(=O)OC(C)(C)C.ClC=1N=C(NC1CC)C(=O)N[C@@H]1[C@@H](CN(CC1)C=1SC(=C(N1)C)C(=O)O)OC>>ClC=1N=C(NC1CC)C(=O)N[C@@H]1[C@@H](CN(CC1)C=1SC(=C(N1)C)C(=O)NC1CCN(CC1)C(=O)OC(C)(C)C)OC | 5 |
[CH3:1][C:2]([N:11]1[CH:15]=[C:14]([N+:16]([O-])=O)[N:13]=[CH:12]1)([CH3:10])[CH2:3][NH:4][CH2:5][C:6]([CH3:9])([CH3:8])[CH3:7].[F:19][C:20]1[CH:29]=[C:28]([F:30])[CH:27]=[C:26]2[C:21]=1[CH2:22][CH:23]([NH:31][C@@H:32]([C:36]1[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=1)[C:33](O)=[O:34])[CH2:24][CH2:25]2>>[F:30][C:28]1[CH:27]=[C:26]2[C:21](=[C:20]([F:19])[CH:29]=1)[CH2:22][CH:23]([NH:31][C@@H:32]([C:36]1[CH:37]=[CH:38][CH:39]=[CH:40][CH:41]=1)[C:33]([NH:16][C:14]1[N:13]=[CH:12][N:11]([C:2]([CH3:10])([CH3:1])[CH2:3][NH:4][CH2:5][C:6]([CH3:9])([CH3:8])[CH3:7])[CH:15]=1)=[O:34])[CH2:24][CH2:25]2 | 1 |
C(C=C)C=1N=C(N2C1C=NC1=C2C=CN1S(=O)(=O)C1=CC=C(C)C=C1)C12CCC(CC1)(CC2)NS(=O)(=O)C2CC2>>OC(CC=1N=C(N2C1C=NC1=C2C=CN1S(=O)(=O)C1=CC=C(C)C=C1)C12CCC(CC1)(CC2)NS(=O)(=O)C2CC2)CO | 5 |
[OH-].[Li+].[CH:3]1([C@H:9]([NH:14][C:15]([C:17]2[CH:22]=[CH:21][C:20]([C:23]3[CH:28]=[CH:27][CH:26]=[C:25]([F:29])[CH:24]=3)=[CH:19][C:18]=2[NH:30][C:31]([NH:33][C:34]2[C:39]([CH3:40])=[CH:38][C:37]([CH3:41])=[CH:36][C:35]=2[CH3:42])=[O:32])=[O:16])[C:10]([O:12]C)=[O:11])[CH2:8][CH2:7][CH2:6][CH2:5][CH2:4]1.CO.O>C1COCC1>[CH:3]1([C@H:9]([NH:14][C:15]([C:17]2[CH:22]=[CH:21][C:20]([C:23]3[CH:28]=[CH:27][CH:26]=[C:25]([F:29])[CH:24]=3)=[CH:19][C:18]=2[NH:30][C:31]([NH:33][C:34]2[C:39]([CH3:40])=[CH:38][C:37]([CH3:41])=[CH:36][C:35]=2[CH3:42])=[O:32])=[O:16])[C:10]([OH:12])=[O:11])[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]1 | 2 |
[N+](=O)([O-])C(C)C.BrC=1C(=CC(=C(C1)C(C(=O)OC)C)OC)CBr>CO[H].C[O-].[Na+]>BrC=1C(=CC(=C(C1)C(C(=O)OC)C)OC)C=O | 3 |
C(=S)=S.NC=1C=NC=CC1N>CCO[H].[Cl-].[Ca+2].[Cl-]>N1=C(NC=2C=NC=CC21)S | 3 |
[Br:1][C:2]1[CH:3]=[CH:4][CH:5]=[C:6]2[C:10]=1[NH:9][C:8]([C:11]([O:13][CH2:14][CH3:15])=[O:12])=[C:7]2[CH2:16][CH2:17][CH2:18][O:19]C1C2C(=CC=CC=2)C=CC=1.C(N(CC)CC)C.N1C=CC=CC=1S([O-])(=O)=O>ClCCl.CS(C)=O.C(OCC)(=O)C>[Br:1][C:2]1[CH:3]=[CH:4][CH:5]=[C:6]2[C:10]=1[NH:9][C:8]([C:11]([O:13][CH2:14][CH3:15])=[O:12])=[C:7]2[CH2:16][CH2:17][CH:18]=[O:19] | 1 |
[Br:1][C:2]1[N:7]=[C:6]([NH2:8])[C:5]([N+:9]([O-])=O)=[CH:4][CH:3]=1.[OH-].[Na+]>CN(C=O)C>[Br:1][C:2]1[N:7]=[C:6]([NH2:8])[C:5]([NH2:9])=[CH:4][CH:3]=1 | 2 |
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