smiles
stringlengths 15
6.12k
| source_id
int64 1
5
|
|---|---|
[Si]([O:8][C@@H:9]1[CH2:13][CH2:12][N:11]([C:14]2[CH:19]=[CH:18][C:17]([N:20]3[CH2:24][C@H:23]([CH2:25][O:26][C:27]4[CH:31]=[CH:30][O:29][N:28]=4)[O:22][C:21]3=[O:32])=[CH:16][C:15]=2[F:33])[CH2:10]1)(C(C)(C)C)(C)C.O.O1CCCC1>C(O)(=O)C>[OH:8][C@@H:9]1[CH2:13][CH2:12][N:11]([C:14]2[CH:19]=[CH:18][C:17]([N:20]3[CH2:24][C@H:23]([CH2:25][O:26][C:27]4[CH:31]=[CH:30][O:29][N:28]=4)[O:22][C:21]3=[O:32])=[CH:16][C:15]=2[F:33])[CH2:10]1
| 2
|
CC1=NN(C=C1CO)C1=NC=CC=C1>>ClCC=1C(=NN(C1)C1=NC=CC=C1)C
| 5
|
Cl[CH:2]([C:6](=[O:8])[CH3:7])[C:3](=[O:5])[CH3:4].[Cl:9][C:10]1[CH:11]=[C:12]([OH:17])[CH:13]=[C:14]([Cl:16])[CH:15]=1.C(=O)([O-])[O-].[K+].[K+].[I-].[Na+]>CC(C)=O.O>[Cl:9][C:10]1[CH:11]=[C:12]([CH:13]=[C:14]([Cl:16])[CH:15]=1)[O:17][CH:2]([C:6](=[O:8])[CH3:7])[C:3](=[O:5])[CH3:4]
| 1
|
Cl[C:2]1[N:3]=[CH:4][C:5]([C:8]([O:10][CH3:11])=[O:9])=[N:6][CH:7]=1.[O:12]1[CH:16]=[CH:15][N:14]=[C:13]1[CH2:17][OH:18].C(=O)([O-])[O-].[Cs+].[Cs+]>CN(C=O)C.O>[O:12]1[CH:16]=[CH:15][N:14]=[C:13]1[CH2:17][O:18][C:2]1[N:3]=[CH:4][C:5]([C:8]([O:10][CH3:11])=[O:9])=[N:6][CH:7]=1
| 1
|
Cl[C:2]1[C:3]([C:8]#[N:9])=[N:4][CH:5]=[CH:6][CH:7]=1.[Cl:10][C:11]1[CH:16]=[CH:15][C:14](B(O)O)=[C:13]([F:20])[CH:12]=1.[O-]P([O-])([O-])=O.[K+].[K+].[K+]>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.CN(C=O)C>[Cl:10][C:11]1[CH:16]=[CH:15][C:14]([C:2]2[C:3]([C:8]#[N:9])=[N:4][CH:5]=[CH:6][CH:7]=2)=[C:13]([F:20])[CH:12]=1
| 2
|
Br[C:2]1[S:3][CH:4]=[C:5]([C:7]([NH:9][C:10]2[CH:11]=[N:12][N:13]([CH3:31])[C:14]=2[C@H:15]2[O:21][CH2:20][C@@H:19]([F:22])[C@H:18]([NH:23]C(=O)OC(C)(C)C)[CH2:17][CH2:16]2)=[O:8])[N:6]=1.[CH3:32][C:33]1[C:37](B(O)O)=[C:36]([CH3:41])[O:35][N:34]=1>>[NH2:23][C@H:18]1[C@H:19]([F:22])[CH2:20][O:21][C@H:15]([C:14]2[N:13]([CH3:31])[N:12]=[CH:11][C:10]=2[NH:9][C:7]([C:5]2[N:6]=[C:2]([C:37]3[C:33]([CH3:32])=[N:34][O:35][C:36]=3[CH3:41])[S:3][CH:4]=2)=[O:8])[CH2:16][CH2:17]1
| 1
|
[N+](=O)([O-])C=1C=C(C=CC1[N+](=O)[O-])Cl.C1(CCCCCC1)N>CCO[H]>ClC1=CC2=C(NC(N2C2CCCCCC2)=O)C=C1
| 3
|
O[CH2:2][CH2:3][C:4]1[C:9]([C:10]([NH:12][CH2:13][C:14]2[CH:19]=[CH:18][C:17]([O:20][CH3:21])=[CH:16][CH:15]=2)=[O:11])=[CH:8][N:7]=[CH:6][CH:5]=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.N(C(OCC)=O)=NC(OCC)=O>C1COCC1>[CH3:21][O:20][C:17]1[CH:18]=[CH:19][C:14]([CH2:13][N:12]2[CH2:2][CH2:3][C:4]3[C:9](=[CH:8][N:7]=[CH:6][CH:5]=3)[C:10]2=[O:11])=[CH:15][CH:16]=1
| 1
|
OC(=O)C(F)(F)F.COC(=O)CN1CN(C2(C1=O)CCN(CC2)[C@@H]2CC[C@H](CC2)C(C)C)C2=CC=CC=C2>>C(C)(C)[C@H]1CC[C@H](CC1)N1CCC2(C(NCN2C2=CC=CC=C2)=O)CC1.OC(=O)C(F)(F)F.C(C)(=O)O
| 5
|
C(C=C)(=O)Cl.NC1=CC=C(C=C1)C(=O)N1C2CC(CC(C1)(C2)C)(C)C>>CC12CC(CC(N(C1)C(=O)C1=CC=C(C=C1)NC(C=C)=O)C2)(C)C
| 5
|
[I:1][C:2]1[CH:3]=[C:4]2[C:9]3=[C:10]([CH2:12][O:13][C:14]([CH3:16])([CH3:15])[N:8]3[CH:7]=[C:6]([C:17]([O:19]C)=[O:18])[C:5]2=[O:21])[CH:11]=1.[OH-].[Na+]>C1COCC1>[I:1][C:2]1[CH:3]=[C:4]2[C:9]3=[C:10]([CH2:12][O:13][C:14]([CH3:15])([CH3:16])[N:8]3[CH:7]=[C:6]([C:17]([OH:19])=[O:18])[C:5]2=[O:21])[CH:11]=1
| 2
|
[CH2:1]([O:3][C:4]([C:6]1[CH:15](C2C=CC=CC=2Cl)[C:14]2[C:13](=[O:23])[CH2:12][C:11]([CH3:25])([CH3:24])[CH2:10][C:9]=2[NH:8][C:7]=1[CH2:26][O:27][CH2:28][CH2:29][N:30]=[N+]=[N-])=[O:5])[CH3:2].[Sn](Cl)Cl.C([O-])(O)=O.[Na+].[CH2:41]([Cl:43])Cl.CO>O.C(Cl)Cl>[CH2:1]([O:3][C:4]([C:6]1[CH2:15][C:14]2[C:13](=[O:23])[CH2:12][C:11]([CH3:25])([CH3:24])[CH2:10][C:9]=2[N:8]([C:14]2[CH:15]=[CH:6][CH:7]=[CH:26][C:41]=2[Cl:43])[C:7]=1[CH2:26][O:27][CH2:28][CH2:29][NH2:30])=[O:5])[CH3:2]
| 2
|
[C:1]([OH:9])(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[OH:10][S:11](O)(=[O:13])=[O:12].O=S(=O)=O.[Cl-].[Na+:20]>>[S:11]([C:4]1[CH:3]=[C:2]([CH:7]=[CH:6][CH:5]=1)[C:1]([O-:9])=[O:8])([OH:13])(=[O:12])=[O:10].[Na+:20]
| 1
|
[C:1]([O:5][C:6]([NH:8][C:9]1[CH:14]=[C:13]([O:15][C:16]2[CH:25]=[C:24]3[C:19]([CH:20]=[CH:21][C:22]([C:26](O)=[O:27])=[CH:23]3)=[CH:18][CH:17]=2)[CH:12]=[CH:11][N:10]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[Cl:29][C:30]1[CH:36]=[CH:35][C:33]([NH2:34])=[CH:32][C:31]=1[C:37]([F:40])([F:39])[F:38].CCN=C=NCCCN(C)C.Cl>C(Cl)Cl.CN(C1C=CN=CC=1)C.CCOC(C)=O>[Cl:29][C:30]1[CH:36]=[CH:35][C:33]([NH:34][C:26]([C:22]2[CH:23]=[C:24]3[C:19]([CH:18]=[CH:17][C:16]([O:15][C:13]4[CH:12]=[CH:11][N:10]=[C:9]([NH:8][C:6](=[O:7])[O:5][C:1]([CH3:4])([CH3:2])[CH3:3])[CH:14]=4)=[CH:25]3)=[CH:20][CH:21]=2)=[O:27])=[CH:32][C:31]=1[C:37]([F:38])([F:39])[F:40]
| 1
|
S1(=O)(=O)NC(=O)C2=CC=CC=C12.BrC1(C(NCCC1)=O)C>N(C)(C)C=O.O.[Na]>O=S1(N(C(C2=C1C=CC=C2)=O)C2(C(NCCC2)=O)C)=O
| 3
|
ClCC(=O)N.N1C[C@H](C2=CC=CC=C12)CCN1CCN(CC1)C=1C=C2C=CNC2=CC1>>Cl.Cl.N1C=CC2=CC(=CC=C12)N1CCN(CC1)CC[C@@H]1CN(C2=CC=CC=C12)CC(=O)N
| 5
|
[CH3:1][NH:2][CH:3]1[C:19]2[C:12](=[CH:13][CH:14]=[C:15]([S:20][CH3:21])[C:16]([CH:18]=2)=[O:17])[C:11]2[C:6](=[CH:7][C:8]([O:26][CH3:27])=[C:9]([O:24][CH3:25])[C:10]=2[O:22][CH3:23])[CH2:5][CH2:4]1.N1C=CC=CC=1.[Cl:34][CH2:35][C:36]1[CH:37]=[C:38]([CH:42]=[CH:43][CH:44]=1)[C:39](Cl)=[O:40].O>ClCCl>[Cl:34][CH2:35][C:36]1[CH:37]=[C:38]([CH:42]=[CH:43][CH:44]=1)[C:39]([N:2]([CH3:1])[C@@H:3]1[C:19]2[C:12](=[CH:13][CH:14]=[C:15]([S:20][CH3:21])[C:16](=[O:17])[CH:18]=2)[C:11]2[C:10]([O:22][CH3:23])=[C:9]([O:24][CH3:25])[C:8]([O:26][CH3:27])=[CH:7][C:6]=2[CH2:5][CH2:4]1)=[O:40]
| 2
|
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]#[N:9])=[N:6][CH:7]=1>CCO.Cl.[Pd]>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([CH2:8][NH2:9])=[N:6][CH:7]=1
| 1
|
[I-].[CH3:2][O:3][CH2:4][CH:5]1[NH+:9]([CH3:10])[C:8]([CH3:12])([CH3:11])[CH2:7][O:6]1.C(=O)([O-])[O-].[K+].[K+].[N:19]([C:21]1[C:30]([OH:31])=[CH:29][CH:28]=[C:27]2[C:22]=1[CH:23]=[CH:24][CH:25]=[N:26]2)=O>C1C=CC=CC=1>[CH3:2][O:3][C:4]1[C:5]2([N:9]([CH3:10])[C:8]([CH3:12])([CH3:11])[CH2:7][O:6]2)[O:31][C:30]2[CH:29]=[CH:28][C:27]3[N:26]=[CH:25][CH:24]=[CH:23][C:22]=3[C:21]=2[N:19]=1
| 1
|
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.ClCC1=NC2=C(N1)C=C(C=C2CCC(F)(F)F)F>C1(=CC=NC=C1)N(C)C.ClCCl>ClCC1=NC2=C(N1C(=O)OC(C)(C)C)C=C(C=C2CCC(F)(F)F)F
| 3
|
FCCCN1C[C@H](CC1)OC1=CC=C(C(=O)OC)C=C1>C(C)OCC.CO[H].Cl.O1CCOCC1.[OH-].[K+]>FCCCN1C[C@H](CC1)OC1=CC=C(C(=O)O)C=C1
| 3
|
[Cl:1][C:2]1[C:3]([F:16])=[C:4]([C:8]([N+:13]([O-])=O)=[C:9]([F:12])[C:10]=1[F:11])[C:5]([OH:7])=[O:6].[H][H].O>[Ni].C(O)C>[NH2:13][C:8]1[C:9]([F:12])=[C:10]([F:11])[C:2]([Cl:1])=[C:3]([F:16])[C:4]=1[C:5]([OH:7])=[O:6]
| 1
|
C(C)N1C(C(=CC2=C1N=C(N=C2)SC)C2=CC(=CC=C2)S(=O)(=O)C)=O>>C(C)N1C(C(=CC2=C1N=C(N=C2)S(=O)C)C2=CC(=CC=C2)S(=O)(=O)C)=O
| 5
|
C12(CC3CC(CC(C1)C3)C2)C(=O)Cl.BrC1=C(C=NN(C1=O)CC(=O)OCC)N>>BrC1=C(C=NN(C1=O)CC(=O)O)NC(=O)C12CC3CC(CC(C1)C3)C2
| 5
|
C(\C=C/C(=O)OC)(=O)OC.[N+](=O)([O-])CCC1=CC=CC=C1>O.O.O.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>[N+](=O)([O-])C(CC1=CC=CC=C1)C(C(=O)OC)CC(=O)OC
| 3
|
CC[Mg+].[Br-].IC=1N=CN(C1)CCC>C1CCCO1.C(CCC)[Sn](CCCC)(CCCC)Cl>C(CC)N1C=NC(=C1)[Sn](CCCC)(CCCC)CCCC
| 3
|
BrC=1SC=NN1.C(C)(C)(C)OC(N[C@@H](C(=O)NC1=C(C=C(C(=C1)OC)C1=CN=CO1)B1OC(C(O1)(C)C)(C)C)CC(C)C)=O>O.O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C)(C)(C)OC(N[C@@H](C(=O)NC1=C(C=C(C(=C1)OC)C1=CN=CO1)C=1SC=NN1)CC(C)C)=O
| 3
|
C(C1=CC=CC=C1)C1CCNCC1.OC=1C=CC2=C(NC(=N2)C(=O)O)C1>N(C)(C)C=O.CCN(CC)CC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.F[P-](F)(F)(F)(F)F>C(C1=CC=CC=C1)C1CCN(CC1)C(=O)C1=NC2=C(N1)C=C(C=C2)O
| 3
|
COC1=CC=C(CN2N=C(C=3C2=NC=CC3OC3=CC=C(C=C3)OC3=CC=CC=C3)N[C@H]3CNCC3)C=C1>>COC1=CC=C(CN2N=C(C=3C2=NC=CC3OC3=CC=C(C=C3)OC3=CC=CC=C3)N[C@H]3CN(CC3)C(C)=O)C=C1
| 5
|
C(C)N1CCNCC1.NC1=CC(=C(C(=O)O)C=C1)C(F)(F)F>ClCCl.CCN(CC)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>NC1=CC(=C(C=C1)C(=O)N1CCN(CC1)CC)C(F)(F)F
| 3
|
ClC1=NC=NC2=CC(=C(C=C12)OC)OCCCN1CCOCC1.ClC1=C(C2=C(OCO2)C(=C1)C#C[Si](C)(C)C)N>>ClC1=C(C2=C(OCO2)C(=C1)C#C)NC1=NC=NC2=CC(=C(C=C12)OC)OCCCN1CCOCC1
| 5
|
CI.C(C)(C)(C)OC(NC1=CC=C(C=C1)I)=O>N(C)(C)C=O.O.[H-].[Na+]>ClC1=CC=C(C=C1)C1N(C(CC2=CC(=C(C=C12)OC(C)C)OC)=O)C1=CC=C(C=C1)N(C(OC(C)(C)C)=O)C
| 3
|
CN1CCC(CC1)=O.N(N)C(=O)OC(C)(C)C>>CN1CCC(CC1)NNC(=O)OC(C)(C)C
| 5
|
[CH3:1][C@:2]1([C:27]([OH:29])=O)[CH2:6][CH2:5][CH2:4][N:3]1[C:7]([CH:9]1[CH2:14][CH2:13][N:12]([C:15]2[CH:16]=[N:17][CH:18]=[CH:19][C:20]=2[C:21]2[S:22][C:23]([CH3:26])=[N:24][N:25]=2)[CH2:11][CH2:10]1)=[O:8].CC[N:32](C(C)C)C(C)C.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.N.C1COCC1>[Cl-].[Na+].O.CN(C=O)C>[CH3:1][C@:2]1([C:27]([NH2:32])=[O:29])[CH2:6][CH2:5][CH2:4][N:3]1[C:7]([CH:9]1[CH2:14][CH2:13][N:12]([C:15]2[CH:16]=[N:17][CH:18]=[CH:19][C:20]=2[C:21]2[S:22][C:23]([CH3:26])=[N:24][N:25]=2)[CH2:11][CH2:10]1)=[O:8]
| 2
|
C([O:3][C:4]([C:6]1([N:9]([CH:51]([CH3:53])[CH3:52])[S:10]([C:13]2[CH:14]=[C:15]([CH:48]=[CH:49][CH:50]=2)[C:16]([NH:18][C:19]2[S:20][C:21]3[CH2:47][CH2:46][CH2:45][CH2:44][C:22]=3[C:23]=2[C:24]([NH:26][C:27]2[CH:32]=[CH:31][C:30]([CH2:33][CH2:34][C:35]3[CH:43]=[CH:42][C:38]([C:39]([OH:41])=[O:40])=[CH:37][CH:36]=3)=[CH:29][CH:28]=2)=[O:25])=[O:17])(=[O:12])=[O:11])[CH2:8][CH2:7]1)=[O:5])C.[OH-].[Na+]>C(O)C>[C:4]([C:6]1([N:9]([CH:51]([CH3:53])[CH3:52])[S:10]([C:13]2[CH:14]=[C:15]([CH:48]=[CH:49][CH:50]=2)[C:16]([NH:18][C:19]2[S:20][C:21]3[CH2:47][CH2:46][CH2:45][CH2:44][C:22]=3[C:23]=2[C:24]([NH:26][C:27]2[CH:32]=[CH:31][C:30]([CH2:33][CH2:34][C:35]3[CH:36]=[CH:37][C:38]([C:39]([OH:41])=[O:40])=[CH:42][CH:43]=3)=[CH:29][CH:28]=2)=[O:25])=[O:17])(=[O:12])=[O:11])[CH2:7][CH2:8]1)([OH:5])=[O:3]
| 1
|
C(C)(C)C=1C=C(OC2=NC(=NC(=C2CC(=O)OC)N(C)C)C)C=CC1>CC(C)(C)[O-].[K+].COCCOC.N(=O)OC(C)(C)C>C(C)(C)C=1C=C(OC2=NC(=NC(=C2C(C(=O)OC)=NO)N(C)C)C)C=CC1
| 3
|
[F:1][C:2]1[CH:3]=[CH:4][C:5]2[C@H:14]3[C@H:9]([CH2:10][CH2:11][NH:12][CH2:13]3)[CH2:8][C:7](=[O:15])[C:6]=2[CH:16]=1.[CH2:17](Br)[CH3:18]>>[F:1][C:2]1[CH:3]=[CH:4][C:5]2[C@H:14]3[C@H:9]([CH2:10][CH2:11][N:12]([CH2:17][CH3:18])[CH2:13]3)[CH2:8][C:7](=[O:15])[C:6]=2[CH:16]=1
| 1
|
BrCC(=O)OCC.C(C)(C)(C)OC(=O)N1CCN(CC1)C1=NC=2N(C(NC(C2N1CC1=CC=CC=C1)=O)=O)C>>C(C)(C)(C)OC(=O)N1CCN(CC1)C1=NC=2N(C(N(C(C2N1CC1=CC=CC=C1)=O)CC(=O)OCC)=O)C
| 5
|
[CH3:1][C@@:2]12[C:18](=[O:19])[CH2:17][CH2:16][C@H:15]1[C@H:14]1[C@@H:5]([C:6]3[CH:7]=[CH:8][C:9]([OH:20])=[CH:10][C:11]=3[CH2:12][CH2:13]1)[CH2:4][CH2:3]2.[C:21]1([CH3:31])[CH:26]=[CH:25][C:24]([S:27](Cl)(=[O:29])=[O:28])=[CH:23][CH:22]=1>N1C=CC=CC=1.O>[C:21]1([CH3:31])[CH:26]=[CH:25][C:24]([S:27]([O:20][C:9]2[CH:8]=[CH:7][C:6]3[C@@H:5]4[C@H:14]([C@H:15]5[C@@:2]([CH2:3][CH2:4]4)([CH3:1])[C:18](=[O:19])[CH2:17][CH2:16]5)[CH2:13][CH2:12][C:11]=3[CH:10]=2)(=[O:29])=[O:28])=[CH:23][CH:22]=1
| 1
|
C(C)(C)(C)[S@@](=O)NC(COC(C)(C(C)(F)F)C)C1=NC2=C(N1COCC[Si](C)(C)C)C=CC(=C2)[C@H](NC(CC2CC(C2)(F)F)=O)C2CC2>CO[H].Cl.[OH-].[Na+].O1CCOCC1>NC(COC(C)(C(C)(F)F)C)C1=NC2=C(N1)C=CC(=C2)[C@H](NC(CC2CC(C2)(F)F)=O)C2CC2
| 3
|
C(C)(C)(C)OC(=O)N(C1=C2CCN(C2=NC2=CC=NN12)[C@@H]1CN(CCC1)C(=O)OC(C)(C)C)C1=CC=C(C=C1)OCC>>ClC=1C=NN2C(=C3CCN(C3=NC12)[C@@H]1CN(CCC1)C(=O)OC(C)(C)C)N(C1=CC=C(C=C1)OCC)C(=O)OC(C)(C)C
| 5
|
Cl.[NH2:2][CH:3]([CH2:30][C:31]1[CH:36]=[CH:35][C:34]([F:37])=[CH:33][CH:32]=1)[C:4]([N:6]1[CH2:11][CH2:10][N:9]([CH:12]([CH2:17][C:18]2[CH:27]=[CH:26][C:25]3[C:20](=[CH:21][CH:22]=[CH:23][CH:24]=3)[CH:19]=2)[C:13]([NH:15][CH3:16])=[O:14])[CH2:8][CH:7]1[CH2:28][CH3:29])=[O:5].[NH2:38][C:39]([CH3:44])([CH3:43])[C:40](O)=[O:41].ON1C2C=C[CH:53]=[CH:54][C:49]=2N=N1.[CH3:55]N1CCOCC1.CC[O:64][C:65](C)=[O:66]>CN(C=O)C.O>[C:54]([O:66][C:65](=[O:64])[NH:38][C:39]([C:40](=[O:41])[NH:2][CH:3]([CH2:30][C:31]1[CH:36]=[CH:35][C:34]([F:37])=[CH:33][CH:32]=1)[C:4]([N:6]1[CH2:11][CH2:10][N:9]([CH:12]([C:13](=[O:14])[NH:15][CH3:16])[CH2:17][C:18]2[CH:27]=[CH:26][C:25]3[C:20](=[CH:21][CH:22]=[CH:23][CH:24]=3)[CH:19]=2)[CH2:8][CH:7]1[CH2:28][CH3:29])=[O:5])([CH3:44])[CH3:43])([CH3:53])([CH3:49])[CH3:55]
| 2
|
ClC1=CC=C(C=C1)C1=NN(CC1C1=CC=CC=C1)C1=NN(C(N1C)=O)CCC1=CC=C(C(=O)OC)C=C1>O.C1CCCO1.[OH-].[Li+]>ClC1=CC=C(C=C1)C1=NN(CC1C1=CC=CC=C1)C1=NN(C(N1C)=O)CCC1=CC=C(C(=O)O)C=C1
| 3
|
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2([CH2:17][S:18][CH2:19][C:20](O)=[O:21])[O:14][CH2:13][C:12]([CH3:16])([CH3:15])[CH2:11][O:10]2)=[CH:5][CH:4]=1.C1(N=C=NC2CCCCC2)CCCCC1.[C:38]1([C@H:44]2[CH2:48][O:47][C:46](=[O:49])[NH:45]2)[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=1>C(Cl)Cl.CN(C)C1C=CN=CC=1>[CH3:1][O:2][C:3]1[CH:4]=[CH:5][C:6]([C:9]2([CH2:17][S:18][CH2:19][C:20]([N:45]3[C@@H:44]([C:38]4[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=4)[CH2:48][O:47][C:46]3=[O:49])=[O:21])[O:14][CH2:13][C:12]([CH3:16])([CH3:15])[CH2:11][O:10]2)=[CH:7][CH:8]=1
| 1
|
C([O:5][CH2:6][CH:7]([CH2:12][CH3:13])[CH2:8][CH2:9][CH2:10][CH3:11])(=O)C=C.C(OC)(=[O:18])C(C)=C.C(O)(=O)C(C)=C.CCCCCCCCCCCCOC(CC(S([O-])(=O)=O)C(OCC=C)=O)=O.[Na+].N.S(OOS([O-])(=O)=O)([O-])(=O)=O.[NH4+].[NH4+].C(OO)(C)(C)C.S([O-])[O-].C=O.[Na+].[Na+]>O>[CH3:11][CH2:10][CH2:9][CH2:8][CH:7]([C:6]([OH:5])=[O:18])[CH2:12][CH3:13]
| 2
|
[N+](=O)([O-])C.ClC1=CC=C(C=C1)N(C(C)=O)OC(F)(F)F>>ClC1=CC(=C(C=C1)NC(C)=O)OC(F)(F)F
| 3
|
COCCN.ClC1=NC(=NC=C1C(F)(F)F)NC=1C=C2C(=NC1)NC=C2>N(C)(C)C=O.C(C)(C)N(C(C)C)CC>COCCNC1=NC(=NC=C1C(F)(F)F)NC=1C=C2C(=NC1)NC=C2
| 3
|
C(C1=CC=CC=C1)Br.C(C)(=O)C1=C(O)C=C(C=C1O)C>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(C1=CC=CC=C1)OC1=C(C(=CC(=C1)C)OCC1=CC=CC=C1)C(C)=O
| 3
|
C(CCCCC)N.C(C)(=O)OC=1C(=C2CCC(OC2=C(C1C)C)(C)C(=O)Cl)C>ClCCl.C(C)(C)N(C(C)C)CC>C(C)(=O)OC=1C(=C2CCC(OC2=C(C1C)C)(C)C(NCCCCCC)=O)C
| 3
|
NC1=CC=C(C(=O)OCC)C=C1.O=C1NCCCC1C(=O)OCC>>C(C)OC(C1=CC=C(C=C1)NN=C1C(NCCC1)=O)=O
| 5
|
[CH3:1][O:2][C:3]1[CH2:4][CH2:5][O:6][CH2:7][CH:8]=1.ClC1C=CC=C([C:16](OO)=[O:17])C=1.C[OH:21]>>[CH3:1][O:2][C:3]1([O:17][CH3:16])[CH2:4][CH2:5][O:6][CH2:7][CH:8]1[OH:21]
| 1
|
[CH3:1][C:2]1[N:7]=[C:6]2[S:8][C:9]3[CH2:14][CH2:13][CH2:12][CH2:11][C:10]=3[C:5]2=[C:4]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][C:16]=2[Cl:21])[C:3]=1[CH2:22][C:23]([O:25][CH3:26])=[O:24].[Li+].C[Si]([N-][Si](C)(C)C)(C)C.[CH2:37]1[CH2:41]OC[CH2:38]1.ICCC>CN(C=O)C>[CH3:1][C:2]1[N:7]=[C:6]2[S:8][C:9]3[CH2:14][CH2:13][CH2:12][CH2:11][C:10]=3[C:5]2=[C:4]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][C:16]=2[Cl:21])[C:3]=1[CH:22]([CH2:38][CH2:37][CH3:41])[C:23]([O:25][CH3:26])=[O:24]
| 1
|
O[C@@H]1C[C@H]([C@@H](CC1)C(=O)OC)OC>O.ClCCl.CS(=O)(=O)Cl.C(C)(=O)OCC>CO[C@H]1[C@@H](CC[C@@H](C1)OS(=O)(=O)C)C(=O)OC
| 3
|
[O:1]=[C:2]1[C:11]2[CH:12]=[CH:13][C:14]([NH:16][CH2:17][C:18]3[CH:25]=[CH:24][CH:23]=[CH:22][C:19]=3[C:20]#[N:21])=[CH:15][C:10]=2[C:9]2[C:4](=[N:5][CH:6]=[CH:7][CH:8]=2)[NH:3]1.[OH-:26].[Na+].Cl>O1CCOCC1>[O:1]=[C:2]1[C:11]2[CH:12]=[CH:13][C:14]([NH:16][CH2:17][C:18]3[CH:25]=[CH:24][CH:23]=[CH:22][C:19]=3[C:20]([NH2:21])=[O:26])=[CH:15][C:10]=2[C:9]2[C:4](=[N:5][CH:6]=[CH:7][CH:8]=2)[NH:3]1
| 1
|
[CH3:1][C:2]1[O:3][C:4]([C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=2)=[CH:5][C:6]=1[C:7]([OH:9])=[O:8].[CH2:16](I)[CH3:17].C(=O)([O-])[O-].[K+].[K+].O>CN(C)C=O>[CH3:1][C:2]1[O:3][C:4]([C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=2)=[CH:5][C:6]=1[C:7]([O:9][CH2:16][CH3:17])=[O:8]
| 1
|
[CH2:1]([O:3][C:4]([C:6]1[CH:7]=[N:8][C:9]2[CH2:10][CH2:11][CH2:12][CH2:13][C:14]=2[C:15]=1O)=[O:5])[CH3:2].C([O-])([O-])=O.[Na+].[Na+].[OH-].[Na+].O=P(Cl)(Cl)[Cl:27]>CCOC(C)=O>[CH2:1]([O:3][C:4]([C:6]1[CH:7]=[N:8][C:9]2[CH2:10][CH2:11][CH2:12][CH2:13][C:14]=2[C:15]=1[Cl:27])=[O:5])[CH3:2]
| 2
|
N1CCNCCC1.FC=1C=C(C=CC1F)[N+](=O)[O-]>>FC1=C(C=CC(=C1)[N+](=O)[O-])N1CCNCCC1
| 5
|
OC=1C(=NC=CC1)C.BrC=1C=C(C(=NC1)C#N)[N+](=O)[O-]>>C1(=CC=CC=C1)SC=1C=C(C(=NC1)C#N)OC=1C(=NC=CC1)C
| 5
|
BrC1C=CC(C(C)(C)C(OCC)=O)=CC=1.CC1(C)C(C)(C)OB(C2C=CC(N3CCOCC3)=CC=2)O1.[CH3:37][C:38]([C:45]1[CH:50]=[CH:49][C:48]([C:51]2[CH:56]=[CH:55][C:54]([N:57]3[CH2:62][CH2:61][O:60][CH2:59][CH2:58]3)=[CH:53][CH:52]=2)=[CH:47][CH:46]=1)([CH3:44])[C:39]([O:41]CC)=[O:40].[OH-].[Li+]>O1CCCC1.C(O)C.O.O>[CH3:44][C:38]([C:45]1[CH:50]=[CH:49][C:48]([C:51]2[CH:56]=[CH:55][C:54]([N:57]3[CH2:58][CH2:59][O:60][CH2:61][CH2:62]3)=[CH:53][CH:52]=2)=[CH:47][CH:46]=1)([CH3:37])[C:39]([OH:41])=[O:40]
| 2
|
NC1=CC=CC=C1.CN(CCCOC1=C(C=O)C=CC=C1)C>C1(=CC=CC=C1)C.O>CN(CCCOC1=C(C=CC=C1)C=NC1=CC=CC=C1)C
| 3
|
C(C=1C(O)=CC=CC1)(=O)OC.C(C)(C)(C)[Si](O[C@@H](CN(C(OC(C)(C)C)=O)C[C@@H]1OC2=CC=C(C=C2CC1)I)COC1=CC=CC=C1)(C)C>>C(C)(C)(C)OC(=O)N(C[C@@H](COC1=CC=CC=C1)O[Si](C)(C)C(C)(C)C)C[C@@H]1OC2=CC=C(C=C2CC1)OC1=C(C(=O)OC)C=CC=C1
| 5
|
C(#N)CC(=O)OCC.BrC1=CC(=C(C=O)C=C1)C>C1(=CC=CC=C1)C.O.C(C)(=O)O.N1CCCCC1>BrC1=CC(=C(C=C1)C=C(C(=O)OCC)C#N)C
| 3
|
[CH3:1][C@H:2]1[CH2:7][CH2:6][CH2:5][NH:4][C@H:3]1[CH2:8][NH:9]C(=O)OC(C)(C)C.[CH3:17][C:18]1[S:19][C:20]([C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=2)=[C:21]([C:23](O)=[O:24])[N:22]=1>>[NH2:9][CH2:8][C@H:3]1[C@@H:2]([CH3:1])[CH2:7][CH2:6][CH2:5][N:4]1[C:23]([C:21]1[N:22]=[C:18]([CH3:17])[S:19][C:20]=1[C:26]1[CH:27]=[CH:28][CH:29]=[CH:30][CH:31]=1)=[O:24]
| 1
|
C(CO)O.N1C(CC2=CC=CC=C12)=O>>OCCC1C(NC2=CC=CC=C12)=O
| 5
|
[C:1](N1C=CN=C1)([N:3]1[CH:7]=[CH:6][N:5]=[CH:4]1)=[O:2].[OH:13][CH2:14][CH2:15][N:16]1[CH2:21][CH2:20][N:19]([C:22](=[O:24])[CH3:23])[CH2:18][CH2:17]1.O>C(Cl)Cl>[N:3]1([C:1]([O:13][CH2:14][CH2:15][N:16]2[CH2:21][CH2:20][N:19]([C:22](=[O:24])[CH3:23])[CH2:18][CH2:17]2)=[O:2])[CH:7]=[CH:6][N:5]=[CH:4]1
| 1
|
[C:1]([OH:12])(=[O:11])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH3:10].[CH3:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH:21]=[CH:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30]>>[C:1]([O:12][CH:21]([CH2:20][CH2:19][CH2:18][CH2:17][CH2:16][CH2:15][CH2:14][CH3:13])[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])(=[O:11])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH3:10]
| 2
|
ClC=1C=C2CCO[C@H](C2=CC1)[C@H]1O[C@H]([C@H]2[C@@H]1OC(O2)(C)C)OC>O.C(=O)(C(F)(F)F)O>ClC=1C=C2CCO[C@H](C2=CC1)[C@@H]1[C@H]([C@H](C(O1)O)O)O
| 3
|
C1(=CCCC1)N1CCCC1.BrCC1=C(C(=CC=C1)F)CBr>CC#N.C(C)(C)N(C(C)C)CC>[Br-].FC=1C=2CC3CCC(CC2C=CC1)C3=[N+]3CCCC3
| 3
|
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([CH2:9][S:10][CH2:11][CH2:12][NH2:13])=[CH:5][CH:4]=1.[Cl:14][C:15]1[N:20]=[CH:19][C:18]([CH:21]=O)=[CH:17][CH:16]=1.S([O-])([O-])(=O)=O.[Mg+2].C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].C(=O)([O-])[O-].[Na+].[Na+]>ClCCCl>[Cl:14][C:15]1[N:20]=[CH:19][C:18]([CH2:21][NH:13][CH2:12][CH2:11][S:10][CH2:9][C:6]2[CH:7]=[CH:8][C:3]([O:2][CH3:1])=[CH:4][CH:5]=2)=[CH:17][CH:16]=1
| 1
|
Cl[C:2]1[N:7]=[CH:6][C:5]([C:8]2[N:9]=[N:10][N:11]([CH2:13][C:14]([O:16]CC)=[O:15])[N:12]=2)=[CH:4][N:3]=1.Cl.[F:20][C:21]([F:37])([F:36])[C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=1[N:28]1[CH2:35][CH:34]2[CH:30]([CH2:31][NH:32][CH2:33]2)[CH2:29]1.C(=O)([O-])[O-].[K+].[K+].[Li+].[OH-]>O1CCOCC1.CO>[F:36][C:21]([F:20])([F:37])[C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=1[N:28]1[CH2:29][CH:30]2[CH2:31][N:32]([C:2]3[N:3]=[CH:4][C:5]([C:8]4[N:9]=[N:10][N:11]([CH2:13][C:14]([OH:16])=[O:15])[N:12]=4)=[CH:6][N:7]=3)[CH2:33][CH:34]2[CH2:35]1
| 2
|
N1=C(C=CC=C1)CN.C(C)(C)(C)NS(=O)(=O)C=1C=NC=C(C1)C1=NN=C(C2=C(C=CC=C12)C1=CC=CC=C1)Cl>>C(C)(C)(C)NS(=O)(=O)C=1C=NC=C(C1)C1=NN=C(C2=C(C=CC=C12)C1=CC=CC=C1)NCC1=NC=CC=C1
| 5
|
C(C1=CC=CC=C1)(=O)Cl.CC1(C(C(NC1)=O)OC1=CC(=C(C#N)C=C1)C(F)(F)F)C>C1CCCO1.C(C)(=O)OCC.[H-].[Na+].[Cl-].[NH4+]>C(C1=CC=CC=C1)(=O)N1C(C(C(C1)(C)C)OC1=CC(=C(C#N)C=C1)C(F)(F)F)=O
| 3
|
FC1=CC2=C(NC(CO2)=O)C=C1.BrC[C@H](CO[Si](C)(C)C(C)(C)C)C>C(=O)([O-])[O-].[Cs+].[Cs+]>[Si](C)(C)(C(C)(C)C)OC[C@H](CN1C(COC2=C1C=CC(=C2)F)=O)C
| 3
|
[Cl:1][C:2]1[CH:3]=[C:4]2[C:10](B3OC(C)(C)C(C)(C)O3)=[CH:9][N:8](S(C3C=CC(C)=CC=3)(=O)=O)[C:5]2=[N:6][CH:7]=1.[C:30]([C:34]1[C:39]([F:40])=[C:38]([S:41][CH3:42])[N:37]=[C:36](Cl)[N:35]=1)([CH3:33])([CH3:32])[CH3:31].C([O-])([O-])=O.[Na+].[Na+]>COCCOC.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>[C:30]([C:34]1[C:39]([F:40])=[C:38]([S:41][CH3:42])[N:37]=[C:36]([C:10]2[C:4]3[C:5](=[N:6][CH:7]=[C:2]([Cl:1])[CH:3]=3)[NH:8][CH:9]=2)[N:35]=1)([CH3:33])([CH3:31])[CH3:32]
| 1
|
CC=1C=CC(=NC1)[Mg]Br.CON(C(=O)C1=CN(C2=CC=CC=C2C1=O)CC1=NC(=CC=C1)C)C>>CC=1C=CC(=NC1)C(=O)C1=CN(C2=CC=CC=C2C1=O)CC1=NC(=CC=C1)C
| 5
|
CI.C(#N)C=1C=C(C=CC1)C1(NC(N(C1=O)C1=CC(=C(C#N)C=C1)C(F)(F)F)=O)COCC=C>>C(#N)C=1C=C(C=CC1)C1(N(C(N(C1=O)C1=CC(=C(C#N)C=C1)C(F)(F)F)=O)C)COCC=C
| 5
|
CI.C(C)(C)(C)C1=CC(=C(C(=O)NC2=CC(=CC=C2)S(=O)(=O)C)C=C1)OC1=C(C=C(C=C1)F)Cl>>C(C)(C)(C)C1=CC(=C(C(=O)N(C2=CC(=CC=C2)S(=O)(=O)C)C)C=C1)OC1=C(C=C(C=C1)F)Cl
| 5
|
BrC1=NC(=CC(=C1OCOC)C1=CC(=C(C=C1)N1C(N(C=C1)C)=O)F)C.C(C)(C)(C)N1CCN(CC1)C=1C(=NC=C(C1)B1OC(C(O1)(C)C)(C)C)OC>>C(C)(C)(C)N1CCN(CC1)C=1C=C(C=NC1OC)C1=NC(=CC(=C1OCOC)C1=CC(=C(C=C1)N1C(N(C=C1)C)=O)F)C
| 5
|
ClS(=O)(=O)C1CN(CC1)C(=O)OC(C)(C)C.ClC=1C(=CC(=C(C1)[C@H](N[S@@](=O)C(C)(C)C)C1CCNCC1)OCC=C)C>>ClC=1C(=CC(=C(C1)[C@@H](C1CCN(CC1)S(=O)(=O)C1CN(CC1)C(=O)OC(C)(C)C)N[S@@](=O)C(C)(C)C)OCC=C)C
| 5
|
C(C(C)(C)C)(=O)Cl.O=C(C(C#N)C1=CC=C(C=C1)C(C)(C)C)C1=C(C(=NN1C)C)C>C1CCCO1.CCN(CC)CC>CC(C(=O)O/C(=C(/C#N)\C1=CC=C(C=C1)C(C)(C)C)/C1=C(C(=NN1C)C)C)(C)C
| 3
|
ClC=1C=C(C=CC1)C1=NC=C(C=N1)[N+](=O)[O-]>>ClC=1C=C(C=CC1)C1=NC=C(C=N1)N
| 5
|
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2([C:11]#N)[CH2:10][CH2:9]2)=[CH:4][CH:3]=1.[CH2:13]([Mg]Cl)[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20].[O:23]1CCCC1.[Cl-].[NH4+].S(=O)(=O)(O)O>O1CCCC1>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2([C:11](=[O:23])[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20])[CH2:10][CH2:9]2)=[CH:4][CH:3]=1
| 2
|
O=C1OCCN1C1CCNCC1.NC=1C=C(C=2N(C1)C(=C(N2)C(=O)O)Cl)C(F)(F)F>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)Br.F[P-](F)(F)(F)(F)F>NC=1C=C(C=2N(C1)C(=C(N2)C(=O)N2CCC(CC2)N2C(OCC2)=O)Cl)C(F)(F)F
| 3
|
C(C)(C)(C)OC(NCC1=CC=C(C=C1)CNC(=O)N1CCN(CC1)C(CNC(C(CO)O)=O)=O)=O>C(C)OCC.ClCCl.Cl>NCC1=CC=C(CNC(=O)N2CCN(CC2)C(CNC(C(CO)O)=O)=O)C=C1
| 3
|
[N:1]([C:4]1[C:13]([S:14][CH2:15][C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)=[CH:12][C:7]([C:8]([O:10][CH3:11])=[O:9])=[C:6]([NH:22][C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][C:24]=2[Cl:29])[C:5]=1[F:30])=[N+]=[N-].[H][H]>CO.[Pd]>[NH2:1][C:4]1[C:13]([S:14][CH2:15][C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)=[CH:12][C:7]([C:8]([O:10][CH3:11])=[O:9])=[C:6]([NH:22][C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][C:24]=2[Cl:29])[C:5]=1[F:30]
| 1
|
C(C)(=O)OC(C(=O)Cl)(C)C.C(C)NC(=O)NC1=CC(=C(C=N1)C=1C=NC=C(C1)C(=O)NN)C=1SC=C(N1)C(F)(F)F>>C(C)(=O)OC(C(=O)NNC(=O)C=1C=C(C=NC1)C=1C=NC(=CC1C=1SC=C(N1)C(F)(F)F)NC(=O)NCC)(C)C
| 5
|
BrCCCCCCCCC.OC1=C2C=CNC2=CC=C1>>C(CCCCCCCC)OC1=C2C=CNC2=CC=C1
| 5
|
C1(CCCCCCC1)N.FC1=C(C(=C(C(=C1F)S(=O)(=O)CCO)F)F)S(=O)(=O)N>>C1(CCCCCCC1)NC=1C(=C(C(=C(C1S(=O)(=O)CCO)F)F)S(=O)(=O)N)F
| 5
|
[C:1]([NH2:5])(=[O:4])[C:2]#[CH:3].[CH2:6]([O:13][N:14]1[C:20](=[O:21])[N:19]2[CH2:22][C@H:15]1[CH2:16][CH2:17][C@H:18]2/[C:23](/Cl)=[N:24]/[OH:25])[C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1>C(Cl)Cl.CCOC(C)=O>[CH2:6]([O:13][N:14]1[C:20](=[O:21])[N:19]2[CH2:22][C@H:15]1[CH2:16][CH2:17][C@H:18]2[C:23]1[CH:3]=[C:2]([C:1]([NH2:5])=[O:4])[O:25][N:24]=1)[C:7]1[CH:8]=[CH:9][CH:10]=[CH:11][CH:12]=1
| 1
|
C1COCCN1.ClC1=NC=C(C=C1C#N)C1=CC=[N+](C=C1)[O-]>>C(#N)C=1C(=NC=C(C1)C1=CC=[N+](C=C1)[O-])N1CCOCC1
| 3
|
[CH3:1][O:2][C:3]1[C:11]([CH3:12])=[CH:10][C:6]([C:7](Cl)=[O:8])=[CH:5][C:4]=1[CH3:13].[Cl:14][C:15]1[CH:20]=[C:19]([Cl:21])[N:18]=[CH:17][C:16]=1[NH2:22].N1C=CC=CC=1>ClCCl>[Cl:14][C:15]1[CH:20]=[C:19]([Cl:21])[N:18]=[CH:17][C:16]=1[NH:22][C:7](=[O:8])[C:6]1[CH:10]=[C:11]([CH3:12])[C:3]([O:2][CH3:1])=[C:4]([CH3:13])[CH:5]=1
| 1
|
Br[Zn][CH2:3][CH2:4][CH2:5][C:6]([O:8][CH2:9][CH3:10])=[O:7].Br[C:12]1[C:21]2[C:16](=[C:17]([C:22]3[N:26]=[C:25]([C:27]4[CH:32]=[CH:31][C:30]([O:33][CH:34]([CH3:36])[CH3:35])=[C:29]([Cl:37])[CH:28]=4)[O:24][N:23]=3)[CH:18]=[CH:19][CH:20]=2)[CH:15]=[CH:14][N:13]=1>C1COCC1.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>[Cl:37][C:29]1[CH:28]=[C:27]([C:25]2[O:24][N:23]=[C:22]([C:17]3[CH:18]=[CH:19][CH:20]=[C:21]4[C:16]=3[CH:15]=[CH:14][N:13]=[C:12]4[CH2:3][CH2:4][CH2:5][C:6]([O:8][CH2:9][CH3:10])=[O:7])[N:26]=2)[CH:32]=[CH:31][C:30]=1[O:33][CH:34]([CH3:36])[CH3:35]
| 1
|
C[Si]([N-][Si](C)(C)C)(C)C.[Li+].[C:11]([O:15][C:16]([N:18]1[C@@H:23]2[CH2:24][CH2:25][C@H:19]1[CH2:20][CH:21]([C:26]#[N:27])[CH2:22]2)=[O:17])([CH3:14])([CH3:13])[CH3:12].[Br:28][C:29]1[CH:30]=[N:31][CH:32]=[C:33](F)[CH:34]=1.O>O1CCCC1>[C:11]([O:15][C:16]([N:18]1[C@@H:23]2[CH2:24][CH2:25][C@H:19]1[CH2:20][C:21]([C:33]1[CH:32]=[N:31][CH:30]=[C:29]([Br:28])[CH:34]=1)([C:26]#[N:27])[CH2:22]2)=[O:17])([CH3:14])([CH3:12])[CH3:13]
| 2
|
[CH3:1][NH:2][C:3](=[O:21])[CH2:4][O:5][CH2:6][C:7]([NH:9][CH2:10][CH2:11][CH2:12][NH:13]C(=O)OC(C)(C)C)=[O:8].FC(F)(F)C(O)=O.C(Cl)[Cl:30]>>[ClH:30].[NH2:13][CH2:12][CH2:11][CH2:10][NH:9][C:7](=[O:8])[CH2:6][O:5][CH2:4][C:3]([NH:2][CH3:1])=[O:21]
| 2
|
[N+:1](=[CH2:3])=[N-].[NH2:4][C:5]1[CH:10]=[CH:9][C:8]([C:11]23[CH2:16][CH:15]2[C:14](=[O:17])N[C:12]3=[O:18])=[CH:7][CH:6]=1>CO>[NH2:4][C:5]1[CH:6]=[CH:7][C:8]([C:11]23[CH2:16][CH:15]2[C:14](=[O:17])[N:1]([CH3:3])[C:12]3=[O:18])=[CH:9][CH:10]=1
| 1
|
BrC=1C(=NC=C(C1)OC)C>BrN1C(CCC1=O)=O.C(C1=CC=CC=C1)(=O)OOC(C1=CC=CC=C1)=O.C(Cl)(Cl)(Cl)Cl>BrC=1C(=NC=C(C1)OC)CBr
| 3
|
[Br:1][C:2]1[CH:3]=[CH:4][C:5]([OH:11])=[C:6]([C:8](=[O:10])[CH3:9])[CH:7]=1.[Cl:12][C:13]1[CH:14]=[C:15]([CH:18]=[CH:19][CH:20]=1)[CH:16]=O.CCO.[OH-].[Na+]>COC(C)(C)C>[Br:1][C:2]1[CH:3]=[CH:4][C:5]([OH:11])=[C:6]([C:8](=[O:10])[CH:9]=[CH:16][C:15]2[CH:18]=[CH:19][CH:20]=[C:13]([Cl:12])[CH:14]=2)[CH:7]=1
| 1
|
ClC=1C(=C(C(=O)O)C(=C(C1I)F)F)OC>ClCCl.B(Br)(Br)Br.[Cl-].[NH4+]>ClC=1C(=C(C(=O)O)C(=C(C1I)F)F)O
| 3
|
[N:1]1[O:5][N:4]=[C:3]2[CH:6]=[C:7](B(O)O)[CH:8]=[CH:9][C:2]=12.Br[C:14]1[CH:15]=[C:16]([NH:20][CH3:21])[CH:17]=[CH:18][CH:19]=1>>[N:1]1[O:5][N:4]=[C:3]2[CH:6]=[C:7]([C:14]3[CH:15]=[C:16]([NH:20][CH3:21])[CH:17]=[CH:18][CH:19]=3)[CH:8]=[CH:9][C:2]=12
| 1
|
[CH3:1][CH2:2][N:3]([CH3:19])[C:4]1[CH:17]=[CH:16][C:15]([Cl:18])=[CH:14][C:5]=1[C:6]([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)=O.C1N2CN3CN(C2)C[N:21]1C3.[Br-].[NH4+].C(O)(C)C>O>[Cl:18][C:15]1[CH:16]=[CH:17][C:4]2[N:3]([CH3:19])[CH2:2][CH2:1][N:21]=[C:6]([C:8]3[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=3)[C:5]=2[CH:14]=1
| 1
|
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