Datasets:
Derify
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ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
[C:1]([O:5][C:6](=[O:33])[CH2:7][O:8][C:9]1[CH:18]=[CH:17][C:16]([Cl:19])=[C:15]2[C:10]=1[C:11]([CH3:32])=[C:12]([CH2:24][C:25]1[CH:30]=[CH:29][C:28](Br)=[CH:27][CH:26]=1)[C:13]([O:20][CH:21]([F:23])[F:22])=[N:14]2)([CH3:4])([CH3:3])[CH3:2].[CH:34]([N:37]1[CH:41]=[C:40](B2OC(C)(C)C(C)(C)O2)[CH:39]=[N:38]1)([CH3:36])[CH...
1
[CH:1]([N:4]1[C:8]2[CH:9]=[CH:10][CH:11]=[CH:12][C:7]=2[NH:6][C:5]1=[O:13])([CH3:3])[CH3:2].[N+](C1C=C[C:20]([O:23]C(Cl)=O)=CC=1)([O-])=O.CCN(CC)CC.CC1C=CC(S(O)(=O)=O)=CC=1.[NH2:45][CH2:46][CH:47]1[CH2:52][CH2:51][N:50]([CH2:53][C:54]2([C:60]([OH:62])=[O:61])[CH2:59][CH2:58][O:57][CH2:56][CH2:55]2)[CH2:49][CH2:48]1>C(C...
1
[C:1]([O:4][C@@:5]1([CH2:26][CH2:27][CH3:28])[CH2:10][CH2:9][C@H:8]2[C@H:11]3[C@H:21]([CH2:22][CH2:23][C@:6]12[CH3:7])[C@:19]1([CH3:20])[C@H:14]([CH2:15][C@@H:16]([OH:25])[CH2:17][C@@H:18]1[CH3:24])[CH2:13][CH2:12]3)(=[O:3])[CH3:2].[CH3:29][O:30][CH2:31]OC.O=P12OP3(OP(OP(O3)(O1)=O)(=O)O2)=O>ClCCl>[C:1]([O:4][C@@:5]1([C...
1
C(N(CC)CC)C.[SH:8][CH2:9][C:10]([NH2:12])=[O:11].[CH2:13](Br)[C:14]([C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1)=O>C(O)C>[C:16]1([C:14]2[NH:12][C:10](=[O:11])[CH2:9][S:8][CH:13]=2)[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1
1
Br[C:2]1[C:3](=[O:19])[C:4]2[C:9]([C:10]=1[C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)=[CH:8][C:7]([O:17][CH3:18])=[CH:6][CH:5]=2.O1CCN(CCO[C:29]2[CH:37]=[C:36]3[C:32]([C:33](C4C=CC=CC=4)=C(Br)C3=O)=[CH:31][CH:30]=2)CC1.B(O)(O)C1C=CC(C)=CC=1>>[CH3:18][O:17][C:7]1[CH:8]=[C:9]2[C:4](=[CH:5][CH:6]=1)[C:3](=[O:19])[C:2]...
1
ClC1=CC=C(CCl)C=C1.OC=1C=C(C=O)C=CC1OCC1=CC=C(C=C1)OC>>ClC1=CC=C(COC=2C=C(C=O)C=CC2OCC2=CC=C(C=C2)OC)C=C1
5
C(C)OC(=O)C1=CNC2=CC=C(C=C2C1=O)I>>C(C)OC(=O)C=1C=NC2=CC=C(C=C2C1Cl)I
5
C(=S)=S.CC1=NC=C2SC=CN21>ClCCl.[Al](Cl)(Cl)Cl.C(C)(=O)Cl>C(C)(=O)C=1N=C(N2C1SC=C2)C
3
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:9](=[CH:10][CH:11]=1)[NH:8][CH:7]=[C:6]2[CH2:12][C:13]([O:15][CH3:16])=[O:14].[C:17]([O-])([O-])=O.[K+].[K+].S(OC)(OC)(=O)=O>C(#N)C>[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:9](=[CH:10][CH:11]=1)[N:8]([CH3:17])[CH:7]=[C:6]2[CH2:12][C:13]([O:15][CH3:16])=[O:14]
2
Cl.CON.OC1=CC(=C2[C@@]3(CC[C@H]4C(CCC[C@@]4([C@H]3CS(C2=C1)(=O)=O)C)(C)C)C)C(=O)O>N(C)(C)C=O.C1CCCO1.CN1CCOCC1.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>OC1=CC(=C2[C@@]3(CC[C@H]4C(CCC[C@@]4([C@H]3CS(C2=C1)(=O)=O)C)(C)C)C)C(=O)NOC
3
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][N:11]([C:14]2[CH:15]=[N:16][C:17]([N+:20]([O-])=O)=[CH:18][CH:19]=2)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].C(OCC)(=O)C>O>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][N:11]([C:14]2[CH:15]=[N:16][C:17]([NH2:20])=[CH:18][CH:19]=2)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:2])[CH3:...
2
NC1=C(C2=C(CN(CC2)C(=O)OCC)O1)C#N>COC(N(C)C)OC>C(#N)C1=C(OC=2CN(CCC21)C(=O)OCC)/N=C/N(C)C
3
[NH2:1][C:2]1[C:7]([N+:8]([O-])=O)=[CH:6][CH:5]=[C:4]([O:11][C:12]2[CH:17]=[CH:16][C:15]([F:18])=[CH:14][C:13]=2[F:19])[C:3]=1[C:20]1[C:21]2[CH:30]=[CH:29][N:28]([S:31]([C:34]3[CH:39]=[CH:38][C:37]([CH3:40])=[CH:36][CH:35]=3)(=[O:33])=[O:32])[C:22]=2[C:23](=[O:27])[N:24]([CH3:26])[CH:25]=1.CO.[Cl-].[NH4+]>C(OCC)(=O)C.C...
2
C([O:5][C:6]([CH:8]([C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1)[N:9]1[C:13]2[CH:14]=[C:15]([C:18]#[N:19])[CH:16]=[CH:17][C:12]=2[N:11](C(OC(C)(C)C)=O)[C:10]1=[O:27])=[O:7])(C)(C)C.FC(F)(F)C(O)=O>ClCCl>[C:18]([C:15]1[CH:16]=[CH:17][C:12]2[NH:11][C:10](=[O:27])[N:9]([CH:8]([C:28]3[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]...
1
ClC1=CC(=C(C=C1)CO)OC(C)C>>ClC1=CC(=C(C=C1)CCl)OC(C)C
5
N(=[N+]=[N-])[C@H]1CN(C[C@H](C1)O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C>O.C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>N(=[N+]=[N-])[C@H]1CN(C[C@H](C1)O)C(=O)OC(C)(C)C
3
[C:1]1([CH2:7][O:8][C:9](=[O:18])[C:10]2[CH:15]=[C:14]([OH:16])[CH:13]=[C:12]([OH:17])[CH:11]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.Br[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37].C(=O)([O-])[O-].[K+].[K+]>CC(C)=O.CN(C=O)C...
1
BrC=1C=C(C=C(C1)F)[C@@H]1N(S(OC1)=O)C(=O)OC(C)(C)C>CC#N.O.O.[Ru](Cl)(Cl)Cl>BrC=1C=C(C=C(C1)F)[C@@H]1N(S(OC1)(=O)=O)C(=O)OC(C)(C)C
3
O.SC1=C2NC=NC2=NC=N1.ClCC1=NC2=CC(=CC=C2C(N1C1=C(C=CC=C1)Cl)=O)F>>ClC1=C(C=CC=C1)N1C(=NC2=CC(=CC=C2C1=O)F)CSC1=C2N=CNC2=NC=N1
5
[F:1][C:2]([C:5]1[CH:9]=[C:8]([NH2:10])[N:7]([C:11]2[CH:12]=[N:13][CH:14]=[CH:15][CH:16]=2)[N:6]=1)([F:4])[CH3:3].Cl[C:18]([O:20][C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1)=[O:19]>>[F:4][C:2]([C:5]1[CH:9]=[C:8]([NH:10][C:18](=[O:19])[O:20][C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=2)[N:7]([C:11]2[CH:12]=[N:13][CH...
1
COCOC=1C=C(C=CC1C1=CN=C(N=N1)S(=O)(=O)C)C1=NSC=N1.C1(CC1)[C@@H]1NCCNC1>CC#N.C(C)(C)N(C(C)C)CC>C1(CC1)[C@H]1CN(CCN1)C=1N=NC(=CN1)C1=C(C=C(C=C1)C1=NSC=N1)OCOC
3
BrC1=C(C=C(C2=C1CCO2)Cl)[N+](=O)[O-]>O.CO[H].[Fe].C(C)(=O)O>BrC1=C(C=C(C2=C1CCO2)Cl)N
3
[C:1]1([CH2:7][CH2:8][S:9]([N:12]2[CH2:17][CH2:16][CH:15]([CH2:18][NH2:19])[CH2:14][CH2:13]2)(=[O:11])=[O:10])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.Cl[C:21]1[N:29]=[CH:28][N:27]=[C:26]2[C:22]=1[N:23]=[CH:24][N:25]2[CH3:30]>>[CH3:30][N:25]1[CH:24]=[N:23][C:22]2[C:26]1=[N:27][CH:28]=[N:29][C:21]=2[NH:19][CH2:18][CH:15]1[CH2...
1
ClC1=C(C=C(C(=O)OC)C=C1)NC(=O)C1=CC2=C(N=C(N=C2C)OC)NC1=O>>ClC1=C(C=C(C(=O)O)C=C1)NC(=O)C1=CC2=C(N=C(N=C2C)OC)NC1=O
5
BrC1C=CC(NC(=CC([O-])=O)C(OC)=O)=C(OC)C=1.[CH3:20][O:21][C:22](=[O:39])[C:23]([NH:28][C:29]1[CH:34]=[C:33]([Br:35])[CH:32]=[CH:31][C:30]=1[N+:36]([O-:38])=[O:37])=[CH:24][C:25]([O-:27])=O>>[CH3:20][O:21][C:22]([C:23]1[CH:24]=[C:25]([OH:27])[C:34]2[C:29](=[C:30]([N+:36]([O-:38])=[O:37])[CH:31]=[CH:32][C:33]=2[Br:35])[N:...
2
FC1=C(C=C(C=C1)F)[C@@H]1N(CCC1)C1=CC=2N(C=C1)N=CC2C(=O)NC[C@H](CC(=O)OC)O>O.C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-].[Cl-].[NH4+]>FC1=C(C=C(C=C1)F)[C@@H]1N(CCC1)C1=CC=2N(C=C1)N=CC2C(=O)NC[C@H](CCO)O
3
[OH:1][C@H:2]1[C@@H:6]([CH2:7][NH:8][C:9](=[O:14])[C:10]([F:13])([F:12])[F:11])[CH2:5][N:4](C(OC(C)(C)C)=O)[CH2:3]1.Cl.O1CCOCC1>C(Cl)Cl>[F:13][C:10]([F:11])([F:12])[C:9]([NH:8][CH2:7][C@@H:6]1[C@H:2]([OH:1])[CH2:3][NH:4][CH2:5]1)=[O:14]
1
ClC1=CC=C(C=O)C=C1>ClCCl.[Mg+2].[O-]S([O-])(=O)=O.[Li].[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)C1=C(C[C@H](N)C(=O)O)C=CC(=C1)O>ClC1=CC=C(C=C1)\C=C\N=O
3
C(C1=CC=CC=C1)OC(=O)N1CCN(CC1)C1=C(C=C(C=C1)N1C(OC(C1)COS(=O)(=O)C1=CC=C(C=C1)C)=O)F>>N(=[N+]=[N-])C[C@H]1CN(C(O1)=O)C1=CC(=C(C=C1)N1CCN(CC1)C(=O)OCC1=CC=CC=C1)F
5
C([O:4][CH2:5][C:6]([N:8]([C@H:16]1[C:25]2[C:20](=[CH:21][CH:22]=[CH:23][CH:24]=2)[N:19](C(=O)C2C=C(C(F)(F)F)C=C(C(F)(F)F)C=2)[C@@H:18]([CH3:42])[CH2:17]1)[C:9]1[CH:14]=[CH:13][C:12]([Cl:15])=[CH:11][CH:10]=1)=[O:7])(=O)C.[OH-].[K+].Cl>C(O)C.O>[Cl:15][C:12]1[CH:11]=[CH:10][C:9]([N:8]([C@H:16]2[C:25]3[C:20](=[CH:21][CH:...
1
COCCN1C(C2=CC(=CC=C2C(C1C=1SC=CC1)C(=O)NC1=CC(=CC=C1)OC)[N+](=O)[O-])=O>>NC1=CC=C2C(C(N(C(C2=C1)=O)CCOC)C=1SC=CC1)C(=O)NC1=CC(=CC=C1)OC
5
Cl.Cl.Cl.[O:4]1[C:8]2=[C:9]([N:13]3[CH2:18][CH2:17][N:16]([CH2:19][CH2:20][C@H:21]4[CH2:26][CH2:25][C@H:24]([NH2:27])[CH2:23][CH2:22]4)[CH2:15][CH2:14]3)[N:10]=[CH:11][CH:12]=[C:7]2[CH2:6][CH2:5]1.[O:28]1[CH2:33][CH2:32][CH:31]([C:34](O)=[O:35])[CH2:30][CH2:29]1>>[O:4]1[C:8]2=[C:9]([N:13]3[CH2:18][CH2:17][N:16]([CH2:19...
1
C[Si](C#CC1=CC=C(C#N)C=C1)(C)C>CC#N.[F-].[K+]>C(#C)C1=CC=C(C#N)C=C1
3
Br[C:2]1[CH:3]=[C:4]([N:10]2[CH2:15][CH2:14][O:13][CH2:12][CH2:11]2)[C:5](=[O:9])[N:6]([CH3:8])[CH:7]=1.[CH3:16][C:17]1[CH:23]=[CH:22][C:20]([NH2:21])=[CH:19][C:18]=1B1OC(C)(C)C(C)(C)O1>COCCOC.C(=O)([O-])[O-].[Na+].[Na+].C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.Cl[Pd]Cl.[Fe+2].C(C...
1
[Mn]([O-])(=O)(=O)=O.[K+].COCCOCCN(CCOCCOC)CCOCCOC.[CH3:29][N:30]1[C:34]2[C:35]([CH2:39][OH:40])=[CH:36][CH:37]=[CH:38][C:33]=2[N:32]=[N:31]1>ClCCl>[CH3:29][N:30]1[C:34]2[C:35]([CH:39]=[O:40])=[CH:36][CH:37]=[CH:38][C:33]=2[N:32]=[N:31]1
1
C(C)OC(CSC1=C(C=C(C=C1)OC)C)OCC>ClC1=CC=CC=C1>CC1=CC(=CC=2C=CSC21)OC
3
[NH2:1][C:2]1[CH:3]=[N:4][CH:5]=[C:6]([F:33])[C:7]=1[CH2:8][CH2:9][C@H:10]1[O:15][CH2:14][C@H:13]([CH2:16][O:17][C:18]([NH:20][CH2:21][C:22]([F:25])([F:24])[F:23])=[O:19])[N:12]([C:26]([O:28][C:29]([CH3:32])([CH3:31])[CH3:30])=[O:27])[CH2:11]1.[N:34]([C@@H:37]([C@H:41]([C:49]1[CH:54]=[C:53]([F:55])[CH:52]=[C:51]([F:56]...
1
ClC1=NS(C2=C1C(=CC=C2)OC(F)F)(=O)=O>C1CCCO1.ClCCl.C(C)NCC>FC(OC1=CC=CC2=C1C(=NS2(=O)=O)N(CC)CC)F
3
BrCCCCC(=O)NC1=NN2C(CN(CCC2)C(=O)OCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)=C1>>O=C1N(CCCC1)C1=NN2C(CN(CCC2)C(=O)OCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)=C1
5
COC(C)(C)OC.[Si](C)(C)(C(C)(C)C)OC[C@H](C[C@H](CO)O)N(C(=O)NCC1=C(C(=CC=C1)F)Cl)C>>[Si](C)(C)(C(C)(C)C)OC[C@H](C[C@H]1OC(OC1)(C)C)N(C(=O)NCC1=C(C(=CC=C1)F)Cl)C
5
NC1=NC(=C(C=2N1N=C(N2)CC2=C(C=CC=C2F)CCl)C2=NC=NC=C2)C=2C=C(C#N)C=CC2.Cl.F[C@H]1[C@@H](CNC1)O>N(C)(C)C=O.CO[H].C(=O)([O-])[O-].[Cs+].[Cs+]>NC1=NC(=C(C=2N1N=C(N2)CC2=C(C=CC=C2CN2C[C@H]([C@@H](C2)O)F)F)C2=NC=NC=C2)C=2C=C(C#N)C=CC2
3
C(#N)C1=CC=C(C=C1)C1=CC=C(C=C1)NC=1C(=NN(C1C)CC1=CC=C(C=C1)OC)C(=O)OCC>O.C(=O)(C(F)(F)F)O>C(#N)C1=CC=C(C=C1)C1=CC=C(C=C1)NC=1C(=NNC1C)C(=O)OCC
3
FC1=C(C#N)C=C(C(=C1)O)C1C(N(C2=CC=CC=C12)CC1=CC=C(C=C1)OC)=O>>FC1=CC2=C(C=C1C#N)C1(C(N(C3=CC=CC=C13)CC1=CC=C(C=C1)OC)=O)CO2
5
C(C1=CC=CC=C1)Br.BrC1=C(C=C(C=C1)O)C>CC#N.C([O-])([O-])=O.[K+].[K+]>C(C1=CC=CC=C1)OC1=CC(=C(C=C1)Br)C
3
[Br:1][C:2]1[CH:7]=[C:6](B(O)O)[C:5]([F:11])=[CH:4][N:3]=1.C(=O)([O-])[O-].[Na+].[Na+].[F:18][C:19]1[CH:24]=[CH:23][C:22]([CH:25]=[CH2:26])=[CH:21][CH:20]=1>CN(C)C=O.C(O[Pd]OC(=O)C)(=O)C>[Br:1][C:2]1[CH:7]=[C:6](/[CH:26]=[CH:25]/[C:22]2[CH:23]=[CH:24][C:19]([F:18])=[CH:20][CH:21]=2)[C:5]([F:11])=[CH:4][N:3]=1
1
N1=C(C=CC=C1)C=O.C(CN)CNCCCN>CCO[H].[HH].[Pd]>N1=C(C=CC=C1)CNCCCNCCCNCC1=NC=CC=C1
3
C(C1=CC=CC=C1)Br.C1(C=CCCC1)O>C1CCCO1.[H-].[Na+]>C1(C=CCCC1)OCC1=CC=CC=C1
3
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.COC1=CC=C(CN2N=C(C=3C2=NC=C(C3N3CCNCC3)C3=CC=CC=C3)N)C=C1>>NC1=NN(C2=NC=C(C(=C21)N2CCN(CC2)C(=O)OC(C)(C)C)C2=CC=CC=C2)CC2=CC=C(C=C2)OC
5
COC(=O)C1=CC(=C(C=C1)C1=C(C=CC(=C1)OC)F)C(C(C=C)(C)C)O>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>FC1=C(C=C(C=C1)OC)C1=C(C=C(C=C1)CO)C(C(C=C)(C)C)O
3
C[Si](C#CC1=CC=C(C=C1)CC(=O)OC)(C)C>C1CCCO1.BrN1C(CCC1=O)=O.C(C)(C)[N-]C(C)C.[Li+]>BrC(C(=O)OC)C1=CC=C(C=C1)C#C[Si](C)(C)C
3
ClC1=C(C=O)C=CC(=C1)O.BrC1=NC=CC(=C1)C>[Cu]I.N(C)(C)C=O.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].CN[C@H]1[C@@H](CCCC1)NC>ClC1=C(C=O)C=CC(=C1)OC1=NC=CC(=C1)C
3
C1(CCCCC1)C=1C2=CC=C(C=C2N2CSC3=C(C12)C=CC=C3)C(=O)OC>>C1(CCCCC1)C=1C2=CC=C(C=C2N2CSC3=C(C12)C=CC=C3)C(=O)O
5
F[C:2]1[C:3]([C:16]#[N:17])=[N:4][CH:5]=[C:6]([CH2:8][C:9]2[CH:14]=[CH:13][C:12]([F:15])=[CH:11][CH:10]=2)[CH:7]=1.[CH:18]1([NH2:21])[CH2:20][CH2:19]1>>[CH:18]1([NH:21][C:2]2[C:3]([C:16]#[N:17])=[N:4][CH:5]=[C:6]([CH2:8][C:9]3[CH:14]=[CH:13][C:12]([F:15])=[CH:11][CH:10]=3)[CH:7]=2)[CH2:20][CH2:19]1
1
C[O:2][C:3](=[O:55])[CH2:4][N:5]([C:16](=[O:54])[C@@H:17]([NH:43][C:44]([O:46][CH2:47][C:48]1[CH:53]=[CH:52][CH:51]=[CH:50][CH:49]=1)=[O:45])[CH2:18][C:19]1[N:20]=[CH:21][N:22]([C:24]([C:37]2[CH:42]=[CH:41][CH:40]=[CH:39][CH:38]=2)([C:31]2[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=2)[C:25]2[CH:30]=[CH:29][CH:28]=[CH:27][CH:...
1
C1(CC1)N.COC(=O)C=1N=C(C=2C(N(C=CC2C1O)CC1=CC=CC=C1)=O)C#N>CCO[H]>C1(CC1)NC(=O)C=1N=C(C=2C(N(C=CC2C1O)CC1=CC=CC=C1)=O)C#N
3
C(C=1C(S)=CC=CC1)(=O)OC.C(#N)C1=NC(=CC=C1)SCCC(C)C>C1(=CC=CC=C1)C.CCN(CC)CC>C(CC(C)C)SC1=CC=CC(=N1)C=1SC2=C(C(N1)=O)C=CC=C2
3
Cl.NCC1=NC(=NO1)C=1C=CC(=C(C1)NC(=O)C1=CN=C2N1C=CC=C2)C>>CC1=C(C=C(C=C1)C1=NOC(=N1)CNC(C(F)(F)F)=O)NC(=O)C1=CN=C2N1C=CC=C2
5
C1(CC1)C=1C(=CC=2N(N1)C(=CN2)C2=CC=CC(=N2)N[C@H]2CN(C[C@@H]2F)C(=O)OC(C)(C)C)OC>ClCCl.C(=O)(C(F)(F)F)O>C1(CC1)C=1C(=CC=2N(N1)C(=CN2)C2=CC=CC(=N2)N[C@H]2CNC[C@@H]2F)OC
3
[Br:1][C:2]1[CH:10]=[CH:9][C:5]([C:6]([OH:8])=O)=[CH:4][C:3]=1[CH3:11].[NH2:12][C@H:13]1[CH2:18][CH2:17][C@H:16]([OH:19])[CH2:15][CH2:14]1.C(N(CC)C(C)C)(C)C.F[P-](F)(F)(F)(F)F.CN(C(ON1C2=NC=CC=C2N=N1)=[N+](C)C)C>CN(C=O)C.O>[Br:1][C:2]1[CH:10]=[CH:9][C:5]([C:6]([NH:12][C@H:13]2[CH2:18][CH2:17][C@H:16]([OH:19])[CH2:15][C...
2
[CH2:1]([O:3][C:4](=[O:13])[C:5]1[CH:10]=[CH:9][C:8]([OH:11])=[N:7][C:6]=1[CH3:12])[CH3:2].[CH:14]([C:17]1[N:21]=[C:20]([N:22]2[CH2:27][CH2:26][CH:25]([CH2:28][CH2:29][CH2:30]O)[CH2:24][CH2:23]2)[O:19][N:18]=1)([CH3:16])[CH3:15]>>[CH2:1]([O:3][C:4](=[O:13])[C:5]1[CH:10]=[CH:9][C:8]([O:11][CH2:30][CH2:29][CH2:28][CH:25]...
2
[CH3:1][O:2][C:3](=[O:20])[C:4]1[CH:9]=[CH:8][C:7]([S:10][C:11]2[CH:16]=[CH:15][C:14]([O:17][CH3:18])=[CH:13][CH:12]=2)=[C:6]([NH2:19])[CH:5]=1.C([C:23]1[C:24]([N:30]=[CH:31][N:32]([CH3:34])C)=[N:25][C:26]([CH3:29])=[CH:27][CH:28]=1)#N>>[CH3:1][O:2][C:3](=[O:20])[C:4]1[CH:9]=[CH:8][C:7]([S:10][C:11]2[CH:16]=[CH:15][C:1...
1
CN1CC(C(CC1)=O)C>O.C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+].C1=CC=C(C=C1)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F>FC(S(=O)(=O)OC=1C(CN(CC1)C)C)(F)F
3
[O:1]1[CH:6]=[CH:5][CH2:4][CH2:3][CH2:2]1.C1(C)C=CC(S([O-])(=O)=O)=CC=1.[NH+]1C=CC=CC=1.C(Cl)(Cl)Cl.[Br:28][C:29]1[CH:34]=[CH:33][C:32]([OH:35])=[C:31]([O:36][CH3:37])[CH:30]=1>[Cl-].[Na+].O>[Br:28][C:29]1[CH:34]=[CH:33][C:32]([O:35][CH:6]2[CH2:5][CH2:4][CH2:3][CH2:2][O:1]2)=[C:31]([O:36][CH3:37])[CH:30]=1
1
[C:1]([CH2:3][C:4](=[S:6])[NH2:5])#[N:2].[CH:7]([C:9]1[CH:14]=[CH:13][C:12]([N:15]2[CH2:20][CH2:19][N:18]([C:21]([O:23][C:24]([CH3:27])([CH3:26])[CH3:25])=[O:22])[CH2:17][CH2:16]2)=[CH:11][C:10]=1[N+:28]([O-:30])=[O:29])=O>N1CCCCC1.C(O)C>[NH2:5][C:4](=[S:6])[C:3]([C:1]#[N:2])=[CH:7][C:9]1[CH:14]=[CH:13][C:12]([N:15]2[C...
1
C([O:3][C:4]([C:6]1[S:13][C:12]2[C:11]3[S:14][C:15]4[C:19]([CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])=[C:18]([C:30]([O:32]CC)=[O:31])[S:17][C:16]=4[C:10]=3[S:9][C:8]=2[C:7]=1[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH3:44])=[O:5])C.[Li+].[OH-].C1COC...
1
[C:1]([NH:4][CH2:5][CH2:6][CH2:7][S:8]([O:11][CH2:12][C:13]([CH3:24])([CH3:23])[CH2:14][NH:15]C(OC(C)(C)C)=O)(=[O:10])=[O:9])(=[O:3])[CH3:2].FC(F)(F)C(O)=O.[Cl:32]CCl>>[ClH:32].[C:1]([NH:4][CH2:5][CH2:6][CH2:7][S:8]([O:11][CH2:12][C:13]([CH3:24])([CH3:23])[CH2:14][NH2:15])(=[O:10])=[O:9])(=[O:3])[CH3:2]
2
COC(C(CC1=CC=C(C=C1)NC(=O)C1N(CCC1)C(CC(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)=O)NC(C(CC1=CC=CC=C1)CSC(C)=O)=O)=O>C(=O)(C(F)(F)F)O>COC(C(CC1=CC=C(C=C1)NC(=O)C1N(CCC1)C(CC(CC1=CC=CC=C1)N)=O)NC(C(CC1=CC=CC=C1)CSC(C)=O)=O)=O
3
C(C)(C)(C)OC(=O)N1CC=2N(CC1)C(=C(C2C(N)=O)Cl)C=2C=NC=CC2.COC1=CC=C(C=C1)P(=S)=S>C1(=CC=CC=C1)C>C(C)(C)(C)OC(=O)N1CC=2N(CC1)C(=C(C2C(N)=S)Cl)C=2C=NC=CC2
3
C(C)(C)C1=CN=CC(=N1)NC1=C(C=NN1C)C=1N=CC(=NC1)C1=CC=C(C=C1)C1(CC1)C(=O)OC>O.C1CCCO1.Cl.O[Li].O>Cl.C(C)(C)C1=CN=CC(=N1)NC1=C(C=NN1C)C=1N=CC(=NC1)C1=CC=C(C=C1)C1(CC1)C(=O)O
3
FC(C(=O)O)(F)F.ClC1=NC(=NC=N1)N1CCC(CC1)N1C[C@@H](OC[C@@H]1CC1=CC=C(C=C1)Cl)C>CO[H].C[O-].[Na+]>FC(C(=O)O)(F)F.ClC1=CC=C(C[C@H]2CO[C@H](CN2C2CCN(CC2)C2=NC=NC(=N2)OC)C)C=C1
3
[F:1][C:2]([F:12])([F:11])[O:3][C:4]1[CH:9]=[CH:8][C:7](Br)=[CH:6][CH:5]=1.[S:13]1[CH:17]=[CH:16][CH:15]=[C:14]1B(O)O.C([O-])([O-])=O.[Na+].[Na+].ClCCl>CCO>[F:1][C:2]([F:12])([F:11])[O:3][C:4]1[CH:9]=[CH:8][C:7]([C:14]2[S:13][CH:17]=[CH:16][CH:15]=2)=[CH:6][CH:5]=1
2
CC[Mg+].[Br-].IC=1N=CN(C1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.IC1=C(CC[C@@H]2N=C([C@H](N=C2OC)C(C)C)OC)C=CC=C1>>C(C)(C)[C@H]1N=C([C@@H](N=C1OC)CCC1=C(C=CC=C1)C=1N=CN(C1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)OC
5
ClC=1C=CC(=C(C1)C1=CC(N(C=C1OC)C(C(=O)OC(C)(C)C)C)=O)N1N=NC(=C1)C(F)(F)F>Cl.O1CCOCC1>ClC=1C=CC(=C(C1)C1=CC(N(C=C1OC)C(C(=O)O)C)=O)N1N=NC(=C1)C(F)(F)F
3
COC(N[C@@H](C(C)C)C(=O)N1[C@@H](CCC1)C=1NC=C(N1)C1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C)=O.BrC1=CC2=C(NC(=N2)[C@H]2CC(C3[C@H](CCC=4C=CN(C34)C2)NC(OC)=O)=O)C=C1>>COC(N[C@H]1CCC=2C=CN3C2C1C(C[C@@H](C3)C3=NC1=C(N3)C=C(C=C1)C1=CC=C(C=C1)C=1NC(=NC1)[C@H]1N(CCC1)C([C@H](C(C)C)NC(=O)OC)=O)=O)=O
5
Br[C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:12]([C:13]3[CH:14]=[CH:15][C:16]([S:19]([NH2:22])(=[O:21])=[O:20])=[N:17][CH:18]=3)[N:11]=[C:10]([C:23]([F:26])([F:25])[F:24])[C:9]=2[Cl:27])=[CH:4][CH:3]=1.C([Sn](CCCC)(CCCC)[C:33]1[N:34]=[CH:35][S:36][CH:37]=1)CCC.[Cl-].[Li+]>O1CCOCC1.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2...
1
[Cl:1][C:2]1[C:3]([O:12][C:13]2[CH:18]=[C:17]([O:19][CH2:20][CH2:21][O:22][CH3:23])[CH:16]=[CH:15][C:14]=2[CH2:24][CH2:25][C:26](O)=[O:27])=[N:4][CH:5]=[C:6]([C:8]([F:11])([F:10])[F:9])[CH:7]=1.C(N=C=NCCCN(C)C)C.[CH2:40]([NH:45][S:46]([NH2:49])(=[O:48])=[O:47])[CH2:41][CH2:42][CH2:43][CH3:44].Cl>C(#N)C.CN(C)C1C=CN=CC=1...
2
CC(C)([S@](=O)NCC1=NC=CC(=C1)C1=CC(=CC=2C=C(OC21)F)COC2=C(C=CC(=C2)OC)CC(=O)OCC)C>CC#N.O.C1CCCO1.Cl.O[Li].O>NCC1=NC=CC(=C1)C1=CC(=CC=2C=C(OC21)F)COC2=C(C=CC(=C2)OC)CC(=O)O
3
OCCOCCOCCOCCOCC#CC=1C=C(C(=O)OCC2=CC=CC=C2)C=CC1>>S(=O)(=O)(C1=CC=C(C)C=C1)OCCOCCOCCOCCOCC#CC=1C=C(C(=O)OCC2=CC=CC=C2)C=CC1
5
O1CCN(CC1)C1=CC=C(N)C=C1.CC(COC)O.CS(=O)C1=NN2C(C=N1)=CC=C2NC=2C(=NC=CC2)N(S(=O)(=O)C)C>C(C)(C)N(C(C)C)CC>CN(S(=O)(=O)C)C1=NC=CC=C1NC1=CC=C2C=NC(=NN21)NC2=CC=C(C=C2)N2CCOCC2
3
Br[C:2]1[CH:3]=[CH:4][C:5]([F:25])=[C:6]([CH:24]=1)[CH2:7][N:8]1[C:12](=[O:13])[N:11]([CH:14]2[CH2:16][CH2:15]2)[C:10]([C:17]2[CH:22]=[CH:21][C:20]([Cl:23])=[CH:19][CH:18]=2)=[N:9]1.[Cl:26][C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][C:28]=1B(O)O>>[Cl:26][C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][C:28]=1[C:2]1[CH:3]=[CH:4][C:5]([F...
1
C(C1=CC=CC=C1)N(C(=O)C1CC2=C1C=C(C=C2)OCC2=CC=CC=C2)CCO>>C(C1=CC=CC=C1)N(C(=O)C1CC2=C1C=C(C=C2)OCC2=CC=CC=C2)CC=O
5
Cl[C:2]1[C:3]2[CH2:10][CH2:9][N:8]([CH2:11][C:12]3[CH:17]=[CH:16][C:15]([O:18][CH3:19])=[CH:14][CH:13]=3)[C:4]=2[N:5]=[CH:6][N:7]=1.[C:20]([N:27]1[CH2:32][CH2:31][NH:30][CH2:29][CH2:28]1)([O:22][C:23]([CH3:26])([CH3:25])[CH3:24])=[O:21].C(O[K])(C)(C)C>CN1C(=O)CCC1.C(OCC)(=O)C>[C:23]([O:22][C:20]([N:27]1[CH2:32][CH2:31]...
1
C(CCCC=C)OC(=O)N[C@H](C(=O)O)C(C)(C)C.CN(C=1C=C2C=CC(=CC2=CC1C=C)[C@@]1(C[C@H](NC1)C(=O)OC)OC)C>>CN(C=1C=C2C=CC(=CC2=CC1C=C)[C@@]1(C[C@H](N(C1)C([C@H](C(C)(C)C)NC(=O)OCCCCC=C)=O)C(=O)OC)OC)C
5
FC([C@H]1NC(OC1)=O)F.BrC1=CC2=C(C=3N(CCO2)C(=C(N3)I)F)C=C1>[Cu]I.N.CS(=O)C.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].CN([C@H]1[C@@H](CCCC1)N)C>BrC1=CC2=C(C=3N(CCO2)C(=C(N3)N3C(OC[C@H]3C(F)F)=O)F)C=C1
3
Br[C:2]1[CH:11]=[C:10]2[C:5]([CH2:6][CH:7]([CH3:26])[N:8]([C:12]3[CH:17]=[C:16]([N:18]4[CH2:23][CH2:22][N:21]([CH3:24])[CH2:20][CH2:19]4)[N:15]=[C:14]([NH2:25])[N:13]=3)[CH2:9]2)=[CH:4][CH:3]=1.[O:27]1[CH2:31][CH2:30][CH2:29][CH:28]1[CH2:32][N:33]1[CH:37]=[C:36](B2OC(C)(C)C(C)(C)O2)[CH:35]=[N:34]1.C(=O)(O)[O-].[Na+].O1...
1
BrC=1C=C(C#N)C=CC1.[Cl-].C(C)(C)(C)OC(C[Zn+])=O>>C(#N)C=1C=C(C=CC1)CC(=O)OC(C)(C)C
5
[N:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[C:4]([CH:11]=O)=[CH:3][CH:2]=1.N1C=CC=CC=1C1C=C[C:22]([CH:23]=[O:24])=CC=1>>[N:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[C:4](/[CH:11]=[CH:22]/[CH:23]=[O:24])=[CH:3][CH:2]=1
1
[CH3:1][C:2]1[CH:3]=[C:4]([CH3:24])[C:5]2[C:6]([C:10]=1[N:11]1[C:15]3[N:16]=[C:17]([CH3:21])[NH:18][C:19](=O)[C:14]=3[C:13]([CH3:22])=[C:12]1[CH3:23])=[N:7][S:8][N:9]=2.P(Cl)(Cl)([Cl:27])=O>>[Cl:27][C:19]1[C:14]2[C:13]([CH3:22])=[C:12]([CH3:23])[N:11]([C:10]3[C:6]4=[N:7][S:8][N:9]=[C:5]4[C:4]([CH3:24])=[CH:3][C:2]=3[CH...
2
[OH:1][CH2:2][C:3]1[CH:15]=[C:14]2[N:5]([C:6](=[O:16])[NH:7][C:8]3[CH:9]=[CH:10][CH:11]=[CH:12][C:13]=32)[N:4]=1>C(O)(=O)CCC>[CH2:2]([O:1][CH2:2][C:3]1[CH:15]=[C:14]2[N:5]([C:6](=[O:16])[NH:7][C:8]3[CH:9]=[CH:10][CH:11]=[CH:12][C:13]=32)[N:4]=1)[CH2:3][CH2:15][CH3:14]
1
[CH3:1][C@@H:2]([C@H:12]([NH2:35])[C:13]([NH:15][C@H:16]([C:32]([OH:34])=[O:33])[C@H:17]1[O:21][C@@H:20]([N:22]2[C:28](=[O:29])[NH:27][C:25](=[O:26])[CH:24]=[CH:23]2)[C@H:19]([OH:30])[C@@H:18]1[OH:31])=[O:14])[C@H:3]([OH:11])[C:4]1[CH:5]=[CH:6][C:7]([OH:10])=[CH:8][N:9]=1>O>[CH3:1][C@@H:2]([C@H:12]([NH2:35])[C:13]([NH:...
1
CC1(C)C(C)(C)OB([C:9]2[CH:10]=[CH:11][CH:12]=[C:13]3[C:17]=2[NH:16][C:15]([C:18]([O:20][CH2:21][CH3:22])=[O:19])=[CH:14]3)O1.F[B-](F)(F)F.C([PH+](C(C)(C)C)C(C)(C)C)(C)(C)C.[F-].[Cs+].I[C:45]1[CH:50]=[CH:49][CH:48]=[CH:47][C:46]=1[CH3:51]>C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1...
1
C(C)(SC1=CC=C2C=C(C(=NC2=C1)N(CC1=CC=C(C=C1)OC)CC1=CC=C(C=C1)OC)Cl)=O>CCO[H].Cl.[OH-].[K+]>COC1=CC=C(CN(C2=NC3=CC(=CC=C3C=C2Cl)S)CC2=CC=C(C=C2)OC)C=C1
3
ClC=1N=CN(C1C(=O)O)COCC[Si](C)(C)C.BrC=1C=C(C(=C(C1)OC=1C(=C(C=CC1Cl)CN)F)Cl)F>>BrC=1C=C(C(=C(C1)OC=1C(=C(C=CC1Cl)CNC(=O)C1=C(N=CN1)Cl)F)Cl)F
5
[C:1]1([O:7][C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=2[CH2:14][CH2:15][C:16]([O:18]C2C=CC=CC=2)=[O:17])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[OH-].[Na+].Cl>CO>[C:1]1([O:7][C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=2[CH2:14][CH2:15][C:16]([OH:18])=[O:17])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1
1
[CH2:1]([S:3]([C:6]1[CH:7]=[C:8]([C:12]2[C:17]3[C:18]4[CH:24]=[C:23]([CH3:25])[CH:22]=[N:21][C:19]=4[NH:20][C:16]=3[C:15](=O)[NH:14][CH:13]=2)[CH:9]=[CH:10][CH:11]=1)(=[O:5])=[O:4])[CH3:2].CN(C)C1C=CC=CC=1.O=P(Cl)(Cl)[Cl:38]>>[Cl:38][C:15]1[C:16]2[NH:20][C:19]3[N:21]=[CH:22][C:23]([CH3:25])=[CH:24][C:18]=3[C:17]=2[C:12...
1
ClC1=CC=C(C=C1)C1=N[C@H](C=2N(C3=C1C=C(C=C3)OC)C(=NN2)C)CC(=O)O.NCCOC1=CC=C(C=C1)[Si](O)(C)C>ClCCl.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>ClC1=CC=C(C=C1)C1=N[C@H](C=2N(C3=C1C=C(C=C3)OC)C(=NN2)C)CC(=O)NCCOC2=CC=C(C=C2)[Si](C)(C)O
3
FC(F)(F)C(O)=O.[CH2:8]([N:15]1[C:19]2([CH2:24][CH2:23][NH:22][CH2:21][CH2:20]2)[S:18][CH:17]([CH2:25][C:26]([OH:28])=[O:27])[C:16]1=[O:29])[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1.[CH:30]([C:33]1[CH:41]=[CH:40][C:36]([C:37](Cl)=[O:38])=[CH:35][CH:34]=1)([CH3:32])[CH3:31].Cl>C(Cl)Cl.C(N(CC)CC)C>[CH2:8]([N:15]1[C:19...
1
C1(CC1)N.BrC1=C(C=O)C=CC=C1>>BrC1=C(CNC2CC2)C=CC=C1
5
[CH2:1]([O:3][C:4](=[O:16])[CH:5]([N:11]1[CH:15]=[CH:14][CH:13]=[CH:12]1)[C:6]([O:8][CH2:9][CH3:10])=[O:7])[CH3:2].[Cl:17][C:18]([Cl:23])([Cl:22])[C:19](Cl)=[O:20]>C(Cl)(Cl)Cl>[CH2:9]([O:8][C:6](=[O:7])[CH:5]([N:11]1[CH:12]=[CH:13][CH:14]=[C:15]1[C:19](=[O:20])[C:18]([Cl:23])([Cl:22])[Cl:17])[C:4]([O:3][CH2:1][CH3:2])=...
1
COC(CC1=CC(=CC=C1)C=O)=O.C(CCC)OC1=NC(=C2N=C(N(C2=N1)CCCCNC1CCN(CC1)C)OC)N>C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].CN1C(CCC1)=O>NC1=C2NC(N(C2=NC(=N1)OCCCC)CCCCN(C1CCN(CC1)C)CC=1C=C(C=CC1)CC(=O)OC)=O
3