smiles
stringlengths
15
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source_id
int64
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COC1=C(C=C(C=C1)N1[C@@H]2CO[C@H](C1)C2)[N+](=O)[O-]>>COC1=C(C=C(C=C1)N1[C@@H]2CO[C@H](C1)C2)N
5
C(C1=CC=CC=C1)OC(N[C@H](C(=O)N1C[C@@H]2N(C[C@H]1C(N[C@@H]1CCOC3=CC=CC=C13)=O)CC(C2)(F)F)C2CCOCC2)=O>>Cl.Cl.N[C@H](C(=O)N1C[C@@H]2N(C[C@H]1C(=O)N[C@@H]1CCOC3=CC=CC=C13)CC(C2)(F)F)C2CCOCC2
5
CC(O)=O.[NH2:5][C:6]1[CH:7]=[C:8]2[C:13](=[CH:14][CH:15]=1)[N:12]=[C:11]([CH3:16])[C:10]([C:17]([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:18])=[C:9]2[C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1.[CH2:30]1[C:38]2[C:33](=[CH:34][CH:35]=[CH:36][CH:37]=2)[CH2:32][C:31]1=O.[BH-](OC(C)=O)(OC(C)=O)OC(C)=O.[Na+]>ClCCCl>[CH2:30]1[C:38]2[C:33](=[CH:34][CH:35]=[CH:36][CH:37]=2)[CH2:32][CH:31]1[NH:5][C:6]1[CH:7]=[C:8]2[C:13](=[CH:14][CH:15]=1)[N:12]=[C:11]([CH3:16])[C:10]([C:17]([O:19][C:20]([CH3:23])([CH3:21])[CH3:22])=[O:18])=[C:9]2[C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1
1
O=C1N(C2=CC=CC=C2C12CCOCC2)CC(=O)OC(C)(C)C>ClCCl.C(=O)(C(F)(F)F)O>O=C1N(C2=CC=CC=C2C12CCOCC2)CC(=O)O
3
FC1=C(C=C(C(=C1)S(=O)(=O)C)F)N[C@@H]1C(N(CC1)C1CCN(CC1)C(=O)OCC1=CC=CC=C1)=O>CCO[H].[HH].[HH].[Pd]>FC1=C(C=C(C(=C1)S(=O)(=O)C)F)N[C@@H]1C(N(CC1)C1CCNCC1)=O
3
C(O[CH:4]=[C:5]([C:11]([C:13]([O:15][CH2:16][CH3:17])=[O:14])=O)[C:6]([O:8][CH2:9][CH3:10])=[O:7])C.[N+:18]([CH2:21][C:22]([NH2:24])=[O:23])([O-:20])=[O:19].C([O-])(=O)C.[Na+].Cl>C(O)C>[N+:18]([C:21]1[C:22](=[O:23])[NH:24][C:11]([C:13]([O:15][CH2:16][CH3:17])=[O:14])=[C:5]([C:6]([O:8][CH2:9][CH3:10])=[O:7])[CH:4]=1)([O-:20])=[O:19]
1
C(C1=CC=CC=C1)OC(N[C@@H](CN1C2=C(C3=CC=CC=C13)C=C(C(=N2)N)C(=O)N)C)=O>CCO[H].[HH].[Pd]>NC=1C(=CC2=C(N(C3=CC=CC=C23)C[C@@H](C)N)N1)C(=O)N
3
NC1=C(C=C(C=C1)C1COC1)NC(CCC1CC(C1)N(C)C[C@H]1O[C@H]([C@@H]2OC(O[C@@H]21)(C)C)N2C1=NC=NC(=C1N=C2)N)=O>ClCCl.C(C)(=O)O>CC1(O[C@@H]2[C@H](O1)[C@H](O[C@H]2N2C1=NC=NC(=C1N=C2)N)CN(C2CC(C2)CCC2=NC1=C(N2)C=CC(=C1)C1COC1)C)C
3
FC1=C(C(=CC=C1)F)C1=CC=2CN(CCC2N1)C=1N(N=C(C1)C(F)(F)F)CC>CO[H].C([O-])([O-])=O.[K+].[K+]>FC1=C(C(=CC=C1)F)C1=CC=2C(N(CCC2N1)C=1N(N=C(C1)C(F)(F)F)CC)=O
3
C([N:8]1[CH2:13][CH2:12][CH:11]([NH:14][C:15]([C:17]2[C:18]([C:23]3[CH:28]=[CH:27][C:26]([C:29]([F:32])([F:31])[F:30])=[CH:25][CH:24]=3)=[CH:19][CH:20]=[CH:21][CH:22]=2)=[O:16])[CH2:10][CH2:9]1)C1C=CC=CC=1>O1CCCC1CO.[OH-].[Pd+2].[OH-]>[NH3:8].[F:32][C:29]([F:30])([F:31])[C:26]1[CH:25]=[CH:24][C:23]([C:18]2[C:17]([C:15]([NH:14][CH:11]3[CH2:10][CH2:9][NH:8][CH2:13][CH2:12]3)=[O:16])=[CH:22][CH:21]=[CH:20][CH:19]=2)=[CH:28][CH:27]=1
1
FC=1C=C(C(=C(C1)C1=CC(=NC=C1)C#N)N=C=O)C(C)C.FC(C=1C(=NC=CN1)S(=O)(=O)N)F>C1CCCO1.CC(C)(C)[O-].[Na+]>C(#N)C1=NC=CC(=C1)C1=C(C(=CC(=C1)F)C(C)C)NC(=O)NS(=O)(=O)C1=NC=CN=C1C(F)F
3
[Na].[CH3:2][CH2:3][C@@H:4]([C:25]([C@H:27]([C@@H:29]([OH:45])[C@H:30]([C@H:32]1[O:37][C@@H:36]([CH2:38][C:39]([O:41][OH:42])=[O:40])[C@H:35]([CH3:43])[CH2:34][C@@H:33]1[CH3:44])[CH3:31])[CH3:28])=[O:26])[C@H:5]1[O:9][C@@:8]([C@:11]2([OH:23])[O:15][C@@:14]([C@@H:18]([OH:21])[CH2:19][CH3:20])([CH2:16][CH3:17])[CH2:13][C@H:12]2[CH3:22])([CH3:10])[CH2:7][C@@H:6]1[CH3:24].O.O.C([O-])(=O)C.[Zn+2:52].C([O-])(=O)C.O>CC(C)=O>[Zn:52].[CH3:2][CH2:3][C@@H:4]([C:25]([C@H:27]([C@@H:29]([OH:45])[C@H:30]([C@H:32]1[O:37][C@@H:36]([CH2:38][C:39]([O:41][OH:42])=[O:40])[C@H:35]([CH3:43])[CH2:34][C@@H:33]1[CH3:44])[CH3:31])[CH3:28])=[O:26])[C@H:5]1[O:9][C@@:8]([C@:11]2([OH:23])[O:15][C@@:14]([C@@H:18]([OH:21])[CH2:19][CH3:20])([CH2:16][CH3:17])[CH2:13][C@H:12]2[CH3:22])([CH3:10])[CH2:7][C@@H:6]1[CH3:24]
1
[O:1]=[CH:2][C:3]([Cl:6])([Cl:5])[Cl:4].S(=O)(=O)(O)O.[OH:12][CH2:13][CH:14]([CH2:16]O)[OH:15]>>[Cl:4][C:3]([Cl:6])([Cl:5])[CH:2]1[O:15][CH:14]([CH2:13][OH:12])[CH2:16][O:1]1
1
[N+](=O)([O-])C=1C=C(OCCCN2CCCCC2)C=CC1[N+](=O)[O-]>>N1(CCCCC1)CCCOC=1C=C(C(=CC1)N)N
5
Cl[Si](CC)(CC)CC.OC[C@@H]1N([C@@H](C[C@@H]1NCC1=CC=C(C=C1)OC)COC)C(=O)OCC1=CC=CC=C1>C1(=CC=NC=C1)N(C)C.ClCCl.CCN(CC)CC.C>COC[C@@H]1C[C@@H]([C@@H](N1C(=O)OCC1=CC=CC=C1)CO[Si](CC)(CC)CC)NCC1=CC=C(C=C1)OC
3
OCC1=CC=CC(=N1)C(=O)N>O.C1CCCO1.C([O-])([O-])=O.[K+].[K+].C(C)(=O)OC(C)=O>C(C)(=O)OCC1=CC=CC(=N1)C(=O)N
3
[NH2:1][C:2]1[N:7]=[C:6](S(C)=O)[C:5]([C:11]#[N:12])=[C:4]([N:13]2[CH:17]=[CH:16][CH:15]=[N:14]2)[N:3]=1.[N:18]1[CH:23]=[CH:22][CH:21]=[C:20]([CH2:24][OH:25])[CH:19]=1.C1CCN2C(=NCCC2)CC1>COCCOC>[NH2:1][C:2]1[N:3]=[C:4]([N:13]2[CH:17]=[CH:16][CH:15]=[N:14]2)[C:5]([C:11]#[N:12])=[C:6]([O:25][CH2:24][C:20]2[CH:19]=[N:18][CH:23]=[CH:22][CH:21]=2)[N:7]=1
1
[N+](=O)([O-])C.O(C1=CC=CC=C1)C1=CC=C(C=O)C=C1>>[N+](=O)([O-])CC([O-])C1=CC=C(C=C1)OC1=CC=CC=C1.[Na+]
5
ClC1=NC=C(C2=C1C=NN2)C>N(C)(C)C=O.O.II.[OH-].[K+]>ClC1=NC=C(C2=C1C(=NN2)I)C
3
C1(CC1)N=C=O.FC=1C=C(N)C=CC1B1OC(C(O1)(C)C)(C)C>ClCCl>C1(CC1)NC(=O)NC1=CC(=C(C=C1)B1OC(C(O1)(C)C)(C)C)F
3
C(CCC)OC(=C)C=1C=C(C(=O)NC2=CC(=CC=C2)OC)C=CC1F>Cl.O1CCOCC1>C(C)(=O)C=1C=C(C(=O)NC2=CC(=CC=C2)OC)C=CC1F
3
C(C)(C)(C)[Si](C)(C)Cl.BrC1=C2CC[C@@H](C2=C(C=C1)F)O>O.C1CCCO1.c1cnc[nH]1>BrC1=C2CC[C@@H](C2=C(C=C1)F)O[Si](C)(C)C(C)(C)C
3
FC1(CCN(CC1)C(=O)OC(C)(C)C)C1=CC=CC=C1>Cl.O1CCOCC1>FC1(CCNCC1)C1=CC=CC=C1
3
[CH3:1][C:2]1[S:18][C:5]2[N:6]=[C:7]3[CH:14]=[CH:13][C:12]([C:15]([NH2:17])=O)=[CH:11][N:8]3[C:9](=[O:10])[C:4]=2[CH:3]=1.C(Cl)(Cl)Cl>P(Cl)(Cl)(Cl)=O>[CH3:1][C:2]1[S:18][C:5]2[N:6]=[C:7]3[CH:14]=[CH:13][C:12]([C:15]#[N:17])=[CH:11][N:8]3[C:9](=[O:10])[C:4]=2[CH:3]=1
1
C(C1=CC=CC=C1)N1N=C(C=C1)C(=O)OCC>O.C1CCCO1.O[Li].O>C(C1=CC=CC=C1)N1N=C(C=C1)C(=O)O
3
Cl.ClC1=C(C=CC=C1Cl)N1CCNCC1.ClC1=C(C=CC=C1Cl)N1CCN(CC1)CCCOC1=CC=C2C=NNC2=C1>CC#N.[I-].[Na+]>ClC1=C(C=CC=C1Cl)N1CCN(CC1)CCCOC1=CC=C2CCNC(C2=C1)=O
3
C(C1=CC=CC=C1)Br.O1[C@H](C1)C(=O)[O-].[K+]>ClCCl.[Cl-].C(C1=CC=CC=C1)[N+](CC)(CC)CC>C(C1=CC=CC=C1)OC(=O)[C@@H]1OC1
3
[Br:1][C:2]1[CH:3]=[C:4]([C:8]([CH3:29])([CH:12]([O:21][Si:22]([C:25]([CH3:28])([CH3:27])[CH3:26])([CH3:24])[CH3:23])[C:13]2[CH:18]=[C:17]([F:19])[CH:16]=[CH:15][C:14]=2[F:20])[C:9]([OH:11])=[O:10])[CH:5]=[N:6][CH:7]=1.[CH2:30]([OH:37])[C:31]1[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1.C([N:40]([CH2:43]C)CC)C.P(N=[N+]=[N-])(=O)(OC1C=CC=CC=1)[O:46]C1C=CC=CC=1>C1(C)C=CC=CC=1>[C:9]([O-:11])(=[O:10])[CH3:8].[NH4+:6].[Br:1][C:2]1[CH:3]=[C:4]([C:8]([NH:40][C:43](=[O:46])[O:37][CH2:30][C:31]2[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=2)([CH3:29])[CH:12]([O:21][Si:22]([C:25]([CH3:27])([CH3:26])[CH3:28])([CH3:24])[CH3:23])[C:13]2[CH:18]=[C:17]([F:19])[CH:16]=[CH:15][C:14]=2[F:20])[CH:5]=[N:6][CH:7]=1
1
C([N:4]1[CH:8]=[C:7]([CH3:9])[N:6]=[CH:5]1)(=O)C.[O:10]1CC[CH2:12][CH2:11]1>>[C:11]([C:8]1[NH:4][CH:5]=[N:6][C:7]=1[CH3:9])(=[O:10])[CH3:12]
1
ClC1=C(C=CC=C1Cl)N1CCN(CC1)CCCC=CC1=CC=C2C=CC(NC2=N1)=O>CO[H].[HH].[Ni]>ClC1=C(C=CC=C1Cl)N1CCN(CC1)CCCCCC1=CC=C2C=CC(NC2=N1)=O
3
[Br:1][C:2]1[CH:3]=[CH:4][C:5]2[O:9][C:8]([C:10](=[O:14])[CH:11]([CH3:13])[CH3:12])=[C:7]([CH3:15])[C:6]=2[CH:16]=1.[BH4-].[Na+]>O1CCCC1.CO>[Br:1][C:2]1[CH:3]=[CH:4][C:5]2[O:9][C:8]([CH:10]([OH:14])[CH:11]([CH3:12])[CH3:13])=[C:7]([CH3:15])[C:6]=2[CH:16]=1
1
Cl.[CH3:2][O:3][CH2:4][CH2:5][O:6][C@@H:7]1[CH2:12][CH2:11][CH2:10][N:9]([CH2:13][C@@H:14]2[CH2:19][CH2:18][CH2:17][CH2:16][C@H:15]2[NH2:20])[CH2:8]1.[N:21]1([C:26]2[C:31](C(O)=O)=[CH:30][CH:29]=[CH:28][CH:27]=2)[CH:25]=[CH:24]N=C1.C([N:38]([CH:41](C)C)CC)(C)C.CN([C:47]([O:51]N1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>CN(C=O)C>[CH3:2][O:3][CH2:4][CH2:5][O:6][C@@H:7]1[CH2:12][CH2:11][CH2:10][N:9]([CH2:13][C@@H:14]2[CH2:19][CH2:18][CH2:17][CH2:16][C@H:15]2[NH:20][C:47](=[O:51])[C:29]2[CH:28]=[CH:27][C:26]([N:21]3[CH:25]=[CH:24][CH:41]=[N:38]3)=[CH:31][CH:30]=2)[CH2:8]1
2
IC1=C(N)C=CC(=C1)Br.C(CC#C)N1[C@@H](CCC1)C.C#CC(C)N1C(CCC1)C>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].C(C)(C)NC(C)C>BrC1=CC(=C(C=C1)N)C#CCCN1[C@@H](CCC1)C
3
C(C1=CC=CC=C1)O.FC1=C(C(=CC=C1)F)[N+](=O)[O-]>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].CCCCCC.CCCC(C)C.CCC(C)CC>C(C1=CC=CC=C1)OC1=C(C(=CC=C1)F)[N+](=O)[O-]
3
C(C)N1C(N(C2=CC=C(C=C2C1=O)[N+](=O)[O-])CC#C)=O>>NC=1C=C2C(N(C(N(C2=CC1)CC#C)=O)CC)=O
5
ClC=1C=C2CCCN(C2=CC1)C=1C(=NC2=CC=C(C=C2N1)C(=O)OC)C1=CC=C(C=C1)F>>ClC=1C=C2CCCN(C2=CC1)C=1C(=NC2=CC=C(C=C2N1)C(=O)O)C1=CC=C(C=C1)F
5
FC(S(=O)(=O)O[Si](C)(C)C)(F)F.C(C=C)[Si](C)(C)C.C(C1=CC=CC=C1)O[C@@H]1[C@H](O[C@@H]([C@H]([C@H]1OCC1=CC=CC=C1)OCC1=CC=CC=C1)OC)COCC1=CC=CC=C1>CC#N.O>C(C=C)[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)COCC1=CC=CC=C1
3
OC1=C2C=CNC2=CC=C1.C(=O)(OC(C)(C)C)N1[C@@H](CO)CCC1>>N1C=CC2=C(C=CC=C12)OC[C@@H]1N(CCC1)C(=O)OC(C)(C)C
5
C1(=CC=CC=C1)[Se]Br.COC(=O)C(C(C(=O)OC)=O)CCCCCCCCCCCC>C1CCCO1.[H-].[Na+]>C1(=CC=CC=C1)[Se]C(C(C(=O)OC)=O)(CCCCCCCCCCCC)C(=O)OC
3
BrC1=NC=C(C=C1)CCO[Si](C)(C)C(C)(C)C>>[Si](C)(C)(C(C)(C)C)OCCC=1C=CC(=NC1)CO
5
[S:1]1[C:8]2[C:7]3[CH:9]=[CH:10][CH:11]=[CH:12][C:6]=3[O:5][C:4]=2[CH:3]=[C:2]1[C:13]([OH:15])=O.S(Cl)([Cl:18])=O.C(Cl)(Cl)Cl>CN(C)C=O>[S:1]1[C:8]2[C:7]3[CH:9]=[CH:10][CH:11]=[CH:12][C:6]=3[O:5][C:4]=2[CH:3]=[C:2]1[C:13]([Cl:18])=[O:15]
1
ClC1=NC=C(C(=N1)Cl)CC=O.NC1CC(C1)(O)CO>>ClC=1C2=C(N=CN1)N(C=C2)C2CC(C2)(O)CO
5
ClCC(=O)Cl.BrC=1C=C(C(=NC1)C1=CCC(CC1)NCCO)C>ClCCl.CCN(CC)CC>BrC=1C=C(C(=NC1)C1=CCC(CC1)N1C(COCC1)=O)C
3
CN1C=NC2=C1N=NC(=C2)C(F)(F)F.ClC1=CC=C(C(=N1)I)F>C1CCCO1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].[Li+].[Cl-].CC1(N(C(CCC1)(C)C)[Zn+])C>ClC1=CC=C(C(=N1)C1=NC2=C(N=NC(=C2)C(F)(F)F)N1C)F
3
C([O:3][C:4](=[O:24])/[CH:5]=[CH:6]/[C:7]([N:9]1[C:14]2[CH:15]=[CH:16][CH:17]=[C:18]([CH:19]([CH3:21])[CH3:20])[C:13]=2[O:12][CH:11]([CH2:22][CH3:23])[CH2:10]1)=[O:8])C.[OH-].[Na+].Cl>C(O)(C)(C)C>[CH2:22]([CH:11]1[CH2:10][N:9]([C:7](=[O:8])/[CH:6]=[CH:5]/[C:4]([OH:24])=[O:3])[C:14]2[CH:15]=[CH:16][CH:17]=[C:18]([CH:19]([CH3:20])[CH3:21])[C:13]=2[O:12]1)[CH3:23]
2
[F:1][C:2]1[CH:10]=[C:9]([O:11][C:12]([F:15])([F:14])[F:13])[CH:8]=[CH:7][C:3]=1C(O)=O.C1C=CC(P(N=[N+]=[N-])(C2C=CC=CC=2)=[O:23])=CC=1.CC[N:35]([CH2:38]C)CC.[CH3:40][C:41]([OH:44])([CH3:43])[CH3:42]>>[F:1][C:2]1[CH:10]=[C:9]([O:11][C:12]([F:13])([F:14])[F:15])[CH:8]=[CH:7][C:3]=1[NH:35][C:38](=[O:23])[O:44][C:41]([CH3:43])([CH3:42])[CH3:40]
1
ClCCCC(=O)C1=CNC2=CC=C(C=C12)C#N>C1CCCO1.[Al](Cl)(Cl)Cl.[Na+].[BH4-]>ClCCCCC1=CNC2=CC=C(C=C12)C#N
3
FC(S(=O)(=O)O[Si](C)(C)C(C)(C)C)(F)F.C(C1=CC=CC=C1)OC(=O)N1CC(C(CCC1)N=[N+]=[N-])O>>N(=[N+]=[N-])C1C(CN(CCC1)C(=O)OCC1=CC=CC=C1)O[Si](C)(C)C(C)(C)C
5
FCI.ClC1=NC(=CC2=C1C=NN2)Cl>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>ClC1=NC(=CC2=C1C=NN2CF)Cl
3
[CH:1]1([N:5]2[CH2:11][CH2:10][C:9]3[CH:12]=[CH:13][C:14]([O:16][C:17]4[CH:22]=[CH:21][C:20](I)=[CH:19][C:18]=4[F:24])=[CH:15][C:8]=3[CH2:7][CH2:6]2)[CH2:4][CH2:3][CH2:2]1.[CH3:25][N:26]1[CH2:30][CH2:29][NH:28][C:27]1=[O:31].C(=O)([O-])[O-].[K+].[K+].CNCCNC>O1CCOCC1.[Cu]I>[CH:1]1([N:5]2[CH2:11][CH2:10][C:9]3[CH:12]=[CH:13][C:14]([O:16][C:17]4[CH:22]=[CH:21][C:20]([N:28]5[CH2:29][CH2:30][N:26]([CH3:25])[C:27]5=[O:31])=[CH:19][C:18]=4[F:24])=[CH:15][C:8]=3[CH2:7][CH2:6]2)[CH2:4][CH2:3][CH2:2]1
2
[CH:1]1([NH:7][C:8]2[O:9][C:10]([CH3:24])([CH3:23])[CH:11]([C:16]3[CH:17]=[C:18]([OH:22])[CH:19]=[CH:20][CH:21]=3)[S:12](=[O:15])(=[O:14])[N:13]=2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[CH3:25]C(C)([O-])C.[K+].CI>CN1C(=O)CCC1.O.S([O-])([O-])(=O)=S.[Na+].[Na+]>[CH:1]1([NH:7][C:8]2[O:9][C:10]([CH3:24])([CH3:23])[CH:11]([C:16]3[CH:21]=[CH:20][CH:19]=[C:18]([O:22][CH3:25])[CH:17]=3)[S:12](=[O:15])(=[O:14])[N:13]=2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1
1
C(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)Cl.FC=1C=C(CC=2C=C3C(=NNC3=CC2)NC(C(F)(F)F)=O)C=C(C1)F>ClCCl.C1CCC2=NCCCN2CC1>FC=1C=C(CC=2C=C3C(=NN(C3=CC2)C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)NC(C(F)(F)F)=O)C=C(C1)F
3
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.FC(CCN)(F)F.S(=O)(=O)(C1=CC=C(C)C=C1)OCC=1N=NN(C1)CC(=O)OCC>N(C)(C)C=O.O.ClCCl.CCN(CC)CC>FC(CCCNCC=1N=NN(C1)CC(=O)OCC)(F)F
3
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([O:9][CH3:10])=[CH:5][C:4]=1[C:11](=[O:29])[CH2:12][N:13]1[C:17]([C:18]([O:20][CH2:21][CH3:22])=[O:19])=[CH:16][C:15](C2C=NC=CC=2)=[N:14]1.[CH3:30][Si:31](C)([CH3:42])[C:32]1C=C(C(OCC)=O)NN=1.BrCC(C1C=C(OC)C=CC=1OC)=O>>[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([O:9][CH3:10])=[CH:5][C:4]=1[C:11](=[O:29])[CH2:12][N:13]1[C:17]([C:18]([O:20][CH2:21][CH3:22])=[O:19])=[CH:16][C:15]([Si:31]([CH3:42])([CH3:32])[CH3:30])=[N:14]1
1
BrC1=C2C=CNC2=CC=C1>>BrC1=C2C=CN(C2=CC=C1)[Si](C)(C)C(C)(C)C
5
I[C:2]1[CH:9]=[CH:8][CH:7]=[CH:6][C:3]=1[CH2:4][OH:5].[CH:10]1[CH2:15][CH2:14][CH2:13][CH2:12][CH:11]=1.C1(C)C=CC=CC=1P(C1C=CC=CC=1C)C1C=CC=CC=1C.CCN(CC)CC>CO.CC([O-])=O.CC([O-])=O.[Pd+2]>[CH:10]1([C:2]2[CH:9]=[CH:8][CH:7]=[CH:6][C:3]=2[CH2:4][OH:5])[CH2:15][CH2:14][CH2:13][CH2:12][CH2:11]1
1
[Br:1][C:2]1[CH:20]=[CH:19][C:5]([O:6][C@H:7]2[CH2:11][CH2:10][CH2:9][C@H:8]2[NH:12][S:13]([CH:16]([CH3:18])[CH3:17])(=[O:15])=[O:14])=[CH:4][CH:3]=1.C(=O)=O>CO>[Br:1][C:2]1[CH:3]=[CH:4][C:5]([O:6][C@@H:7]2[CH2:11][CH2:10][CH2:9][C@@H:8]2[NH:12][S:13]([CH:16]([CH3:18])[CH3:17])(=[O:15])=[O:14])=[CH:19][CH:20]=1.[CH3:17][CH:16]([S:13]([NH2:12])(=[O:15])=[O:14])[CH3:18]
2
[C:1]1(=[CH:7][C:8](OCC)=[O:9])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>CCOCC>[C:1]1(=[CH:7][CH2:8][OH:9])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1
1
[C:1]1(=[O:7])[CH2:5][CH2:4][CH2:3][C:2]1=[O:6].[C:8]1([Li])[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1.O>CCOCC>[OH:6][C:2]1([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)[CH2:3][CH2:4][CH2:5][C:1]1=[O:7]
1
OC(C(=O)OCCCCCCCCCCCCCCCCCC)CCSC>ClCCl.ClC=1C=C(C(=O)OO)C=CC1>OC(C(=O)OCCCCCCCCCCCCCCCCCC)CCS(=O)C
3
[S:1]1[CH2:5][C:4](=[O:6])[NH:3][C:2]1=[O:7].C([Li])CCC.Br[CH2:14][CH2:15][O:16][C:17]1[CH:22]=[CH:21][C:20]([F:23])=[CH:19][CH:18]=1.Cl>O1CCCC1>[F:23][C:20]1[CH:21]=[CH:22][C:17]([O:16][CH2:15][CH2:14][CH:5]2[S:1][C:2](=[O:7])[NH:3][C:4]2=[O:6])=[CH:18][CH:19]=1
2
C(#N)C=1C=C(C=CC1)CC(C=1SC2=C(N1)C=CC=C2N2CCN(CC2)C)NS(=O)(=O)C2=CC=CC=C2>CCO[H].C(C)(C)N(C(C)C)CC.Cl.NO>C1(=CC=CC=C1)S(=O)(=O)NC(CC=1C=C(C=CC1)C(N)=NO)C=1SC2=C(N1)C=CC=C2N2CCN(CC2)C
3
C(C)(C)(C)C1=CC=C(C(=O)Cl)C=C1.Cl.NC1=CC=C(C=C1)CCOC1=CC=C(C=C1)C[C@@H](C(=O)O)OCC>C1CCCO1.C(O)([O-])=O.[Na+]>C(C)(C)(C)C1=CC=C(C(=O)NC2=CC=C(C=C2)CCOC2=CC=C(C=C2)C[C@@H](C(=O)O)OCC)C=C1
3
ClC1=NC(=CC=C1CN(CC(CC(CF)CF)O)C)Cl>C1CCCO1.[H-].[Na+]>ClC=1C=CC2=C(OC(CN(C2)C)CC(CF)CF)N1
3
CS(=O)(=O)CC#N.C(=O)C=1C=C(C=CC1)C1=C2C(=C(NC2=C(C=C1)C(=O)N)C)C>CCO[H].C1CCC2=NCCCN2CC1>C(#N)C(=CC=1C=C(C=CC1)C1=C2C(=C(NC2=C(C=C1)C(=O)N)C)C)S(=O)(=O)C
3
Cl.C(C)N(C(C)C)C(C)C.FC(OC1CNC1)F.FC1=CC=C2C(=C(N(C2=C1)[C@H](C)C1CCC(CC1)=O)C)C(=O)OC>C1CCCO1.CO[H].Cl.[BH4-].[Li+]>FC(OC1CN(C1)C1CCC(CC1)[C@@H](C)N1C(=C(C2=CC=C(C=C12)F)C(=O)OC)C)F
3
C(C)(C)(C)OC(N(C)[C@@H]1CC[C@H](CC1)C=O)=O>>C(C)(C)(C)OC(N(C)[C@@H]1CC[C@H](CC1)C=C(Br)Br)=O
5
C1(CCCC1)N.ClC1=CC=CC=2N1N=C(C2C(C)=O)C2=CC=C(C=C2)OC>C1(=CC=CC=C1)C.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C(=O)([O-])[O-].[Cs+].[Cs+].C=1C=CC(=CC1)P(C=2C=CC=CC2)C3=CC=C4C=CC=CC4=C3C5=C6C=CC=CC6=CC=C5P(C=7C=CC=CC7)C=8C=CC=CC8>C1(CCCC1)NC1=CC=CC=2N1N=C(C2C(C)=O)C2=CC=C(C=C2)OC
3
S(=O)(=O)(C)Cl.FC1=C(C=CC(=C1)N1C(C=CC=C1)=O)NC(=O)C1CC([C@H](C1)NC(=O)C=1SC(=CC1)Cl)NC>>FC1=C(C=CC(=C1)N1C(C=CC=C1)=O)NC(=O)C1CC([C@H](C1)NC(=O)C=1SC(=CC1)Cl)N(C)S(=O)(=O)C
5
BrC=1C(=C(C=C(C1C)Cl)C(C)=O)OC>O.ClCCl.B(Br)(Br)Br>BrC=1C(=C(C=C(C1C)Cl)C(C)=O)O
3
CC(C)=O.NCC1=C2C(=CC=C1Cl)N(CC21CCN(CC1)C(=O)OC(C)(C)C)C=1C2=C(N=CN1)CC[C@H]2C>>ClC=1C(=C2C(=CC1)N(CC21CCN(CC1)C(=O)OC(C)(C)C)C=1C2=C(N=CN1)CC[C@H]2C)CNC(C)C
5
[C:1]([C:4]1[CH:5]=[C:6]([NH:13][C:14](=[O:22])OC2C=CC=CC=2)[C:7]([O:11][CH3:12])=[N:8][C:9]=1[CH3:10])(=[O:3])[CH3:2].[CH3:23][C:24]1[C:29]([CH3:30])=[CH:28][CH:27]=[CH:26][C:25]=1[N:31]1[CH2:36][CH2:35][NH:34][CH2:33][CH2:32]1>>[C:1]([C:4]1[CH:5]=[C:6]([NH:13][C:14]([N:34]2[CH2:35][CH2:36][N:31]([C:25]3[CH:26]=[CH:27][CH:28]=[C:29]([CH3:30])[C:24]=3[CH3:23])[CH2:32][CH2:33]2)=[O:22])[C:7]([O:11][CH3:12])=[N:8][C:9]=1[CH3:10])(=[O:3])[CH3:2]
1
BrC(=C)CC.Cl\C(\C=1C=C2CC[C@H](C2=CC1)NC(OC(C)(C)C)=O)=N/O>C1CCCO1.CCN(CC)CC>C(C)C1=CC(=NO1)C=1C=C2CC[C@H](C2=CC1)NC(OC(C)(C)C)=O
3
NC(N)=NC=1SC=C(N1)C=1OC(=CC1)CNC(=O)N>S(O)(O)(=O)=O.CO[H]>S(=O)(=O)(O)O.NC(N)=NC=1SC=C(N1)C=1OC(=CC1)CNC(=O)N.NC(N)=NC=1SC=C(N1)C=1OC(=CC1)CNC(=O)N
3
C(C)OC(=O)C=1NC2=CC=C(C=C2C1)NC(C(=O)NC=1C=C2C=C(NC2=CC1)C(=O)OCC)=O>c1ccncc1.Cl.[OH-].[Na+]>O=C(C(=O)NC=1C=C2C=C(NC2=CC1)C(=O)O)NC=1C=C2C=C(NC2=CC1)C(=O)O
3
FC=1C(=C(C(=CC1)F)[C@H]1[C@H]2COC([C@@H]12)=O)OC>Br>BrC[C@@H]1[C@@H]2C(OC=3C(=CC=C(C3[C@@H]21)F)F)=O
3
[C:1]([O:4][C:5]1[CH:6]=[C:7]2[C:12](=[CH:13][CH:14]=1)[N:11]=[C:10]([C:15]1[CH:20]=[CH:19][CH:18]=[C:17]([N+:21]([O-:23])=[O:22])[CH:16]=1)[NH:9][C:8]2=O)(=[O:3])[CH3:2].CN(C=O)C.O=S(Cl)[Cl:32]>>[C:1]([O:4][C:5]1[CH:6]=[C:7]2[C:12](=[CH:13][CH:14]=1)[N:11]=[C:10]([C:15]1[CH:20]=[CH:19][CH:18]=[C:17]([N+:21]([O-:23])=[O:22])[CH:16]=1)[N:9]=[C:8]2[Cl:32])(=[O:3])[CH3:2]
1
C(C1=CC=CC=C1)N1CCN(CC1)CCC1(CCCC1)C(=O)OCC>O.CO[H].[OH-].[K+]>C(C1=CC=CC=C1)N1CCN(CC1)CCC1(CCCC1)C(=O)O
3
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([C:14]([O-])=[O:15])[CH:6]=[C:7]([CH:13]=1)[C:8](OCC)=[O:9].[H-].[Al+3].[Li+].[H-].[H-].[H-]>C1COCC1.CCOCC>[OH:9][CH2:8][C:7]1[CH:13]=[C:3]([O:2][CH3:1])[CH:4]=[C:5]([CH2:14][OH:15])[CH:6]=1
1
C1(=CC=CC=C1)S(=O)(=O)Cl.N1C=CC2=CC=CN=C12>ClCCl.[OH-].[Na+].[Cl-].C(C1=CC=CC=C1)[N+](CC)(CC)CC>C1(=CC=CC=C1)S(=O)(=O)N1C=CC2=CC=CN=C12
3
C(=O)(OC)O[CH2:3]/[CH:4]=[CH:5]\[CH2:6][N:7]([CH2:23][CH3:24])[C:8](=[O:22])[CH:9]([C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1)[C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1.C1C[C@H]2N(C[C@H]3[C@@H]4CCCCN4C[C@@H]2C3)CC1.[Li+].C[Si]([N-][Si](C)(C)C)(C)C>C1(C)C=CC=CC=1>[CH2:23]([N:7]1[CH2:6][CH:5]([CH:4]=[CH2:3])[C:9]([C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)([C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=2)[C:8]1=[O:22])[CH3:24]
2
[CH:1]([CH:3]([C:6]1[CH:11]=[CH:10][CH:9]=[C:8]([C:12]([F:15])([F:14])[F:13])[CH:7]=1)[C:4]#[N:5])=[O:2]>C(O)C>[NH2:5][CH:4]=[C:3]([C:6]1[CH:11]=[CH:10][CH:9]=[C:8]([C:12]([F:13])([F:14])[F:15])[CH:7]=1)[CH:1]=[O:2]
1
[C:1]([C:5]1[CH:10]=[CH:9][C:8]([C:11]2[S:12][CH:13]=[C:14]([C:17]([CH3:19])=O)[C:15]=2[OH:16])=[CH:7][CH:6]=1)([CH3:4])([CH3:3])[CH3:2].[NH:20]([C:22]([NH:24][C:25]1[CH:33]=[CH:32][C:28]([C:29]([OH:31])=[O:30])=[CH:27][CH:26]=1)=[S:23])[NH2:21].Cl>CN(C)C=O>[C:1]([C:5]1[CH:10]=[CH:9][C:8]([C:11]2[S:12][CH:13]=[C:14]([C:17](=[N:21][NH:20][C:22]([NH:24][C:25]3[CH:33]=[CH:32][C:28]([C:29]([OH:31])=[O:30])=[CH:27][CH:26]=3)=[S:23])[CH3:19])[C:15]=2[OH:16])=[CH:7][CH:6]=1)([CH3:4])([CH3:3])[CH3:2]
1
ClC=1C=CC(=C(C(=O)OC)C1)S.ClC=1C=C(C=CC1)CNC(CCl)=O>O.CO[H].C[O-].[Na+].C(C)(=O)O>OC=1C2=C(SC1C(=O)NCC1=CC(=CC=C1)Cl)C=CC(=C2)Cl
3
[NH:1]1[CH2:6][CH2:5][CH2:4][N:3]=[CH:2]1.Br[CH2:8][C:9]1[CH:10]=[CH:11][C:12]([Cl:15])=[N:13][CH:14]=1>C(#N)C>[Cl:15][C:12]1[N:13]=[CH:14][C:9]([CH2:8][N:3]2[CH2:4][CH2:5][CH2:6][N:1]=[CH:2]2)=[CH:10][CH:11]=1
2
Br[C:2]1[CH:3]=[CH:4][C:5]2[S:11](=[O:13])(=[O:12])[CH2:10][CH2:9][C:8]([C:14]([NH:16][C:17]3[CH:22]=[CH:21][C:20]([CH2:23][N:24]([CH3:31])[CH:25]4[CH2:30][CH2:29][O:28][CH2:27][CH2:26]4)=[CH:19][CH:18]=3)=[O:15])=[CH:7][C:6]=2[CH:32]=1.B([O-])([O-])O[C:35]1[CH:40]=[CH:39][C:38]([O:41][CH2:42][CH2:43][O:44][CH2:45][CH3:46])=[C:37]([F:47])[CH:36]=1.C(=O)([O-])[O-].[K+].[K+]>C1(C)C=CC=CC=1.C(O)C.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>[CH2:45]([O:44][CH2:43][CH2:42][O:41][C:38]1[CH:39]=[CH:40][C:35]([C:2]2[CH:3]=[CH:4][C:5]3[S:11](=[O:12])(=[O:13])[CH2:10][CH2:9][C:8]([C:14]([NH:16][C:17]4[CH:18]=[CH:19][C:20]([CH2:23][N:24]([CH3:31])[CH:25]5[CH2:26][CH2:27][O:28][CH2:29][CH2:30]5)=[CH:21][CH:22]=4)=[O:15])=[CH:7][C:6]=3[CH:32]=2)=[CH:36][C:37]=1[F:47])[CH3:46]
1
[S-]C#N.[NH4+].Cl\C(=C/C=O)\C1=CC=CC=C1>>C#N.C1(=CC=CC=C1)C1=CC=NS1
3
[Cl:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]([CH3:12])[C:7](=[O:13])[C:6]([C@@H:14]([NH:16][S@](C(C)(C)C)=O)[CH3:15])=[CH:5]2.Cl>CO.O1CCOCC1>[ClH:1].[NH2:16][C@H:14]([C:6]1[C:7](=[O:13])[N:8]([CH3:12])[C:9]2[C:4]([CH:5]=1)=[CH:3][C:2]([Cl:1])=[CH:11][CH:10]=2)[CH3:15]
2
[CH:1]1([C:7]([CH3:25])([CH3:24])[C:8]([NH:10][CH2:11][C:12]([C:14]2[CH:19]=[C:18]([O:20]C)[CH:17]=[C:16]([O:22]C)[CH:15]=2)=[O:13])=[O:9])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.B(Br)(Br)Br>ClCCl>[CH:1]1([C:7]([CH3:25])([CH3:24])[C:8]([NH:10][CH2:11][C:12]([C:14]2[CH:15]=[C:16]([OH:22])[CH:17]=[C:18]([OH:20])[CH:19]=2)=[O:13])=[O:9])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1
2
[Cl:1][C:2]1[N:7]=[C:6](Cl)[C:5]2[CH2:9][CH2:10][CH2:11][C:4]=2[N:3]=1.[C:12]1([OH:18])[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1.C(=O)([O-])[O-].[Cs+].[Cs+]>CN(C)C=O.[Cu]>[Cl:1][C:2]1[N:7]=[C:6]([O:18][C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)[C:5]2[CH2:9][CH2:10][CH2:11][C:4]=2[N:3]=1
1
[Br:1][C:2]1[CH:3]=[N:4][C:5](Cl)=[N:6][CH:7]=1.[NH:9]1[CH2:14][CH2:13][CH:12]([C:15]([NH2:17])=[O:16])[CH2:11][CH2:10]1>O1CCOCC1.O>[Br:1][C:2]1[CH:3]=[N:4][C:5]([N:9]2[CH2:14][CH2:13][CH:12]([C:15]([NH2:17])=[O:16])[CH2:11][CH2:10]2)=[N:6][CH:7]=1
2
N1=C(C=CC=C1)C=O.C(C)(C)C1=C(N)C(=CC=C1)C>CO[H].C(=O)O>C(C)(C)C1=C(C(=CC=C1)C)N=CC1=NC=CC=C1
3
BrC1=C(C=C(C=C1)O)C(F)(F)F>CC#N.C([O-])([O-])=O.[K+].[K+]>BrC1=C(C=C(C=C1)OCC)C(F)(F)F
3
C(OC(=O)[NH:7][CH2:8][CH2:9][S:10][C:11]1[CH:16]=[CH:15][C:14]([S:17][CH2:18][CH:19]2[CH2:24][CH2:23][CH2:22][CH2:21][CH:20]2[C:25](=[O:30])[NH:26][CH2:27][C:28]#[N:29])=[CH:13][C:12]=1[F:31])(C)(C)C.[CH3:33][S:34]([OH:37])(=[O:36])=[O:35].CCOCC>O1CCCC1>[S:34]([OH:37])(=[O:36])(=[O:35])[CH3:33].[C:28]([CH2:27][NH:26][C:25]([CH:20]1[CH2:21][CH2:22][CH2:23][CH2:24][CH:19]1[CH2:18][S:17][C:14]1[CH:15]=[CH:16][C:11]([S:10][CH2:9][CH2:8][NH2:7])=[C:12]([F:31])[CH:13]=1)=[O:30])#[N:29]
1
C(C)(=O)C1=CN(C2=CC(=CC=C12)P(OCC)(OCC)=O)CC(=O)N1[C@@H](C[C@H](C1)F)C(NCC1=C(C(=CC=C1)Cl)F)=O>>C(C)(=O)C1=CN(C2=CC(=CC=C12)P(OCC)(O)=O)CC(=O)N1[C@@H](C[C@H](C1)F)C(NCC1=C(C(=CC=C1)Cl)F)=O
5
Cl.NCC1=C2C(N(C(=NC2=CC=C1)C)C1C(NC(CC1)=O)=O)=O.FC(SC1=CC=C(C(=O)Cl)C=C1)(F)F>CC#N.C(C)(C)N(C(C)C)CC>O=C1NC(CCC1N1C(=NC2=CC=CC(=C2C1=O)CNC(C1=C(C=C(C=C1)C(F)(F)F)S)=O)C)=O
3
[F:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]=[C:9]=[S:10])=[CH:4][CH:3]=1.Cl.[CH3:12][O:13][NH2:14].C(N(CC)CC)C>C1COCC1.O.CCOCC>[F:1][C:2]1[CH:7]=[CH:6][C:5]([NH:8][C:9]([NH:14][O:13][CH3:12])=[S:10])=[CH:4][CH:3]=1
1
COC1C=C(OC)C=CC=1C[N:6]([C:33]1[CH:38]=[CH:37][N:36]=[CH:35][N:34]=1)[S:7]([C:10]1[CH:15]=[C:14]([F:16])[C:13]([O:17][C@H:18]2[CH2:23][C:22]([CH3:25])([CH3:24])[CH2:21][CH2:20][C@@H:19]2[C:26]2[N:30]([CH3:31])[N:29]=[CH:28][CH:27]=2)=[CH:12][C:11]=1[F:32])(=[O:9])=[O:8].C([SiH](CC)CC)C.FC(F)(F)C(O)=O>ClCCl>[CH3:24][C:22]1([CH3:25])[CH2:23][C@H:18]([O:17][C:13]2[C:14]([F:16])=[CH:15][C:10]([S:7]([NH:6][C:33]3[CH:38]=[CH:37][N:36]=[CH:35][N:34]=3)(=[O:8])=[O:9])=[C:11]([F:32])[CH:12]=2)[C@@H:19]([C:26]2[N:30]([CH3:31])[N:29]=[CH:28][CH:27]=2)[CH2:20][CH2:21]1
1
NC=1C=C2C=C(NC2=CC1)C(=O)OCC>>C(C)(=O)N(CC)C=1C=C2C=C(NC2=CC1)C(=O)OCC
5
C(CCCCC(=O)O)(=O)O.C(CCCCC)OCCO>C1(=CC=CC=C1)C.O.C1(=CC=C(C=C1)S(=O)(=O)O)C.C1(=CC=C(C=C1)S(=O)(=O)O)C>C(CCCCC(=O)OCCOCCCCCC)(=O)OCCOCCCCCC
3