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]1(=[O:8])[O:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.S(=O)(=O)(O)O.[C:14](OCC)(=[O:16])C.CCCCCC>CO>[OH:16][CH2:14][CH2:5][CH2:4][CH2:3][CH2:2][C:1]([O:7][CH3:6])=[O:8]
1
ClC=1C(=NC=C(C1)F)F.OC1=CC(=C(C=C1)C1=C(C(N(C(N1C)=O)COCC[Si](C)(C)C)=O)C)C>>ClC=1C(=NC=C(C1)F)OC1=CC(=C(C=C1)C1=C(C(N(C(N1C)=O)COCC[Si](C)(C)C)=O)C)C
5
BrCCCCl.BrC=1C=C2C=NNC2=CC1>>BrC=1C=C2C=NN(C2=CC1)CCCCl
5
[O:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[CH:3]=[C:2]1[CH:10]=[O:11].C1COCC1.[BH4-].[Na+]>CO>[O:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[CH:3]=[C:2]1[CH2:10][OH:11]
1
FC1=CC=C(C=C1)B(O)O.C(C)(C)(C)OC(N[C@H](CC)CNC1=NC(=NC=C1)C1=C(C=CC(=C1)Br)O)=O>>N[C@@H](CNC1=NC(=NC=C1)C=1C=C(C=CC1O)C1=CC=C(C=C1)F)CC
5
COC=1C=C(C=C(C1)C)C1=NN(C=C1C1=CC(=NC=C1)C1=CC=CC=C1)CC#N>>OC=1C=C(C=C(C1)C)C1=NN(C=C1C1=CC(=NC=C1)C1=CC=CC=C1)CC#N
5
BrC=1C=C(C=CC1F)C(C#N)(C)C>C1CCCO1.CC(C)C[AlH]CC(C)C>BrC=1C=C(C=CC1F)C(C=O)(C)C
3
[CH:1]1([C:7]([C:9]2[O:17][C:16]3[C:11](=[N:12][CH:13]=[CH:14][CH:15]=3)[C:10]=2[CH3:18])=O)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[NH2:19][C:20]1[CH:29]=[CH:28][C:23]([C:24]([O:26][CH3:27])=[O:25])=[CH:22][CH:21]=1.C(=O)([O-])O.[Na+].C([BH3-])#N.[Na+]>O1CCCC1.[Ti](Cl)(Cl)(Cl)Cl.C(O)(=O)C.C(Cl)Cl.C(N(CC)CC)C>[CH:1]1([CH:...
1
[F:1][CH:2]([F:39])[O:3][C:4]1[CH:5]=[C:6]([C:10]2[CH:14]=[C:13]([C:15]([NH:17][C:18]3[CH:23]=[CH:22][C:21]([C@@H:24]4[O:29][CH2:28][CH2:27][N:26](C(OC(C)(C)C)=O)[CH2:25]4)=[CH:20][CH:19]=3)=[O:16])[N:12]([CH2:37][CH3:38])[N:11]=2)[CH:7]=[CH:8][CH:9]=1.[ClH:40].C(OCC)C>O1CCOCC1>[ClH:40].[F:39][CH:2]([F:1])[O:3][C:4]1[C...
1
[CH3:1][N:2]1[CH2:7][CH2:6][NH:5][CH2:4][CH2:3]1.[C:8](O)(=O)[CH:9](C(C(O)=O)O)[OH:10]>>[CH3:1][N:2]1[CH2:7][CH2:6][N:5]([C:9](=[O:10])[CH3:8])[CH2:4][CH2:3]1
1
[CH:1]1([C:4]2[CH:5]=[CH:6][C:7]([C:18]([OH:20])=O)=[N:8][C:9]=2[O:10][CH2:11][CH:12]2[CH2:17][CH2:16][O:15][CH2:14][CH2:13]2)[CH2:3][CH2:2]1.C1(C2C=CC(C(O)=O)=NC=2OCC2CCCO2)CC1.[NH2:40][C@@H:41]([CH2:46][C:47]([CH3:50])([CH3:49])[CH3:48])[C:42]([NH:44][CH3:45])=[O:43]>>[CH:1]1([C:4]2[CH:5]=[CH:6][C:7]([C:18]([NH:40][C...
1
C(C)(=O)O.C(=N)N.CN(C=CC(=O)C=1C=C(C(=O)OC)C=CC1)C.C(C)(=O)O.CNC>>N1=CN=C(C=C1)C=1C=C(C(=O)OC)C=CC1
5
[CH:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][C:2]=1[C:11](Cl)=[O:12].[NH3:14]>C1COCC1.C(OCC)(=O)C>[CH:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][C:2]=1[C:11]([NH2:14])=[O:12]
1
C(C)OCCBr.C1(=CCCC1)C=1NC2=CC=CC(=C2C1)O[Si](C(C)C)(C(C)C)C(C)C>>C1(=CCCC1)C=1NC2=CC=CC(=C2C1)OCCOCC
5
[CH3:1][C:2]1[N:7]=[C:6]([S:8][CH2:9][C:10]2[N:15]=[CH:14][CH:13]=[CH:12][N:11]=2)[N:5]=[C:4]([OH:16])[CH:3]=1.[ClH:17].O1CCOCC1>CO>[ClH:17].[ClH:17].[CH3:1][C:2]1[N:7]=[C:6]([S:8][CH2:9][C:10]2[N:11]=[CH:12][CH:13]=[CH:14][N:15]=2)[N:5]=[C:4]([OH:16])[CH:3]=1
1
BrC=1C=CC2=C(NC(CO2)=O)C1>C1CCCO1.C(C)(=O)OCC>BrC=1C=CC2=C(NCCO2)C1
3
FC1=CC=C(C=C1)B(O)O.BrC1=C(NC2=C1C(NC(C2)(C)C)=O)C2=CC(=NC=C2)NC(C(C)C2=CC=C(C=C2)F)=O>O.O1CCOCC1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].Nc1ccccc1-c2ccccc2[Pd]Cl.Nc3ccccc3-c4ccccc4[Pd]Cl.CC(C)c5cc(C(C)C)c(-c6cccc(c6)P(C7CCCCC7)C8CCCCC8)c(c5)C(C)C.CC(C)c9cc(C(C)C)c(c(c9)C(C)C)-c%10ccccc%10P(C%11CCCCC%11)C%12CCCCC%12>FC1=C...
3
ClC1=CC=C(C=C1)C(N1CC(C1)N)C1=CC=C(C=C1)Cl.C1(=CC=CC=C1)S(=O)(=O)CC(=O)O>N(C)(C)C=O.CO[H].ClCCl.OC1=CC=CC=2NN=NC21.C(C)(C)N=C=NC(C)C>C1(=CC=CC=C1)S(=O)(=O)CC(=O)NC1CN(C1)C(C1=CC=C(C=C1)Cl)C1=CC=C(C=C1)Cl
3
[C:1]1([C:7]2[O:16][C:10]3[N:11]=[CH:12][N:13]=[C:14]([NH2:15])[C:9]=3[CH:8]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[Br:17]N1C(=O)CCC1=O>C(Cl)(Cl)(Cl)Cl>[Br:17][C:8]1[C:9]2[C:14]([NH2:15])=[N:13][CH:12]=[N:11][C:10]=2[O:16][C:7]=1[C:1]1[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1
1
N#N.[CH:3]1[C:20]2[CH:19]=[CH:18][C:17]3[C:8](=[CH:9][CH:10]=[C:11]4[C:16]=3[CH:15]=[CH:14][CH:13]=[CH:12]4)[C:7]=2[CH:6]=[CH:5][CH:4]=1.Cl[Sn](Cl)(Cl)Cl.ClC[CH:28]([O:31]C(CCl)CCl)CCl>O.ClC1C=CC=CC=1Cl>[CH:3]1[C:20]2[CH:19]=[CH:18][C:17]3[C:8](=[CH:9][C:10]([CH:28]=[O:31])=[C:11]4[C:16]=3[CH:15]=[CH:14][CH:13]=[CH:12]...
1
C(C#C)Br.NC1=NC2=CC=C(C=C2C2=C1N=C1N2[C@H](COC1)C)O>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>C[C@H]1COCC=2N1C1=C(C(=NC3=CC=C(C=C13)OCC#C)N)N2
3
[OH:1][NH:2][C:3]([C:5]1[CH:27]=[N:26][C:8]2[O:9][CH2:10][CH2:11][N:12]([S:13]([C:16]3[CH:21]=[CH:20][C:19]([C:22]([F:25])([F:24])[F:23])=[CH:18][CH:17]=3)(=[O:15])=[O:14])[C:7]=2[CH:6]=1)=[NH:4].C(O)(=O)C.[CH3:32][C:33]([CH3:35])=O>>[CH3:32][C:33]1([CH3:35])[O:1][NH:2][C:3]([C:5]2[CH:27]=[N:26][C:8]3[O:9][CH2:10][CH2:...
1
OCCN1N=CC(=C1)C1=NC(=NC=2[C@@]3([C@@H](CCC12)[C@@H](C(\C(\C3)=C/O)=O)C)C3=CC=CC=C3)C>ClCCl.CCO[H].Cl.NO>CC1=NC=2[C@@]3([C@@H](CCC2C(=N1)C=1C=NN(C1)CCO)[C@@H](C1=C(C=NO1)C3)C)C3=CC=CC=C3
3
ICCCC.FC1=C(C=CC=C1)C1(CN(C1)C(=O)OC(C)(C)C)O>>C(CCC)OC1(CN(C1)C(=O)OC(C)(C)C)C1=C(C=CC=C1)F
5
O1C(=CC=C1)C1=C(C#N)C=C(C=C1)O>>NCC=1C=C(C=CC1C=1OC=CC1)O
5
FC=1C=C(C(=O)Cl)C=CC1F.Cl.NC(C(=O)OC)C(=O)C1CC1>ClCCl.C(C)(C)N(C(C)C)CC>COC(C(C(=O)C1CC1)NC(C1=CC(=C(C=C1)F)F)=O)=O
3
CC1=CC=C(C=C1)S(=O)(=O)OCC1CN(C(C1)(C)C)CC1=CC=CC=C1.O1C(CCCC1)N1N=CC(=C1)C=1C=C2C=NNC2=CC1>>C(C1=CC=CC=C1)N1CC(CC1(C)C)CN1N=CC2=CC(=CC=C12)C=1C=NN(C1)C1OCCCC1
5
[F:1][C:2]1[CH:3]=[C:4]([CH2:10]O)[CH:5]=[CH:6][C:7]=1[S:8][CH3:9].C(Br)(Br)(Br)[Br:13].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>C(Cl)Cl>[Br:13][CH2:10][C:4]1[CH:5]=[CH:6][C:7]([S:8][CH3:9])=[C:2]([F:1])[CH:3]=1
1
O1CCCC=C1.Cl.ClC=1C(=C(C=CC1)NN)C>>ClC1=CC=C2C(=CNC2=C1C)CCCO
5
[OH:1][C:2]1[CH:10]=[CH:9][C:5]2[CH:6]=[CH:7][S:8][C:4]=2[CH:3]=1.N1C=CN=C1.[CH3:16][C:17]([Si:20](Cl)([CH3:22])[CH3:21])([CH3:19])[CH3:18].O>ClCCl>[Si:20]([O:1][C:2]1[CH:10]=[CH:9][C:5]2[CH:6]=[CH:7][S:8][C:4]=2[CH:3]=1)([C:17]([CH3:19])([CH3:18])[CH3:16])([CH3:22])[CH3:21]
1
N1=CC(=CC=C1)N1C2(CCN(C2)C(=O)OC(C)(C)C)CCC1>>Cl.Cl.N1=CC(=CC=C1)N1CCCC12CNCC2
5
CN1C(C2=CC=C(C=C2C=C1)F)=O>>BrC1=CN(C(C2=CC=C(C=C12)F)=O)C
5
[C:1]([C:4]1[N:5]=[C:6]([C:29]2[C:34]([F:35])=[CH:33][CH:32]=[CH:31][C:30]=2[F:36])[O:7][C:8]=1[C:9]1[CH:28]=[CH:27][C:12]([CH2:13][N:14]2[CH2:19][CH2:18][N:17](C(OC(C)(C)C)=O)[CH2:16][CH2:15]2)=[CH:11][CH:10]=1)(=[O:3])[NH2:2].Cl.O1CCOCC1.C([O-])=O>C(Cl)Cl>[F:35][C:34]1[CH:33]=[CH:32][CH:31]=[C:30]([F:36])[C:29]=1[C:6...
1
C1(=CC=CC=C1)C=1CCN(CC1)CCCC1=CC=2C3=CC=CC=C3C(NC2C=C1)=O>>C1(=CC=CC=C1)C1CCN(CC1)CCCC1=CC=2C3=CC=CC=C3C(NC2C=C1)=O
5
c1cnc[nH]1.ClC1=CC=C(C=C1)Br>CS(=O)C.[Cu]Br.C(=O)([O-])[O-].[Cs+].[Cs+]>ClC1=CC=C(C=C1)N1C=NC=C1
3
[CH3:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[CH:8]([C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][C:20]=1[CH3:25])[N:9]1[CH:14]=[CH:13][CH:12]=[C:11]([C:15](O)=[O:16])[C:10]1=[O:18].[NH2:26][C@@H:27]([CH2:35][CH2:36][CH2:37][NH:38][C:39]([NH:41][S:42]([C:45]1[C:46]([CH3:59])=[C:47]2[C:52](=[C:53]([CH3:56])[C:54]=1[CH3:55])[O:...
2
[CH3:1][CH:2]1[NH:7][CH2:6][CH2:5][N:4]([C:8]2[C:13]([O:14][CH3:15])=[C:12]3[N:16]([CH:24]4[CH2:26][CH2:25]4)[CH:17]=[C:18]([C:21](O)=[O:22])[C:19](=[O:20])[C:11]3=[CH:10][C:9]=2[F:27])[CH2:3]1.CC1NC[CH2:32][N:31]([C:35]2[C:40](OC)=[C:39]3[N:43](C4CC4)C=C(C(O)=O)C(=O)C3=CC=2F)[CH2:30]1.O.O.O.[OH-].[Na+]>O1CCCC1>[CH:24]...
2
Br[C:2]1[CH:3]=[N:4][C:5]2[N:6]([N:8]=[C:9]([C:11]([N:13]3[CH2:18][CH2:17][CH2:16][CH2:15][CH2:14]3)=[O:12])[N:10]=2)[CH:7]=1.[F:19][C:20]1[CH:25]=[CH:24][C:23]([C:26]#[CH:27])=[CH:22][CH:21]=1>>[F:19][C:20]1[CH:25]=[CH:24][C:23]([C:26]#[C:27][C:2]2[CH:3]=[N:4][C:5]3[N:6]([N:8]=[C:9]([C:11]([N:13]4[CH2:18][CH2:17][CH2:...
2
ClC=1C=C(C=CC1OCC1=NC=CC=C1)NC1=NC=NC2=CC=CC(=C12)O[C@@H](C(=O)OC)C>>ClC=1C=C(C=CC1OCC1=NC=CC=C1)NC1=NC=NC2=CC=CC(=C12)O[C@@H](C(N1CCCC1)=O)C
5
[CH2:1]([O:3][C:4]([C:6]1[C:7](=[O:23])[O:8][C:9]2[CH:21]=[CH:20][C:19]([CH3:22])=[CH:18][C:10]=2[C:11]=1[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1)=[O:5])[CH3:2].[H][H]>C(O)(=O)C.[C].[Pd]>[CH2:1]([O:3][C:4]([CH:6]1[CH:11]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)[C:10]2[CH:18]=[C:19]([CH3:22])[CH:20]=[CH:21]...
1
Cl.C(C1=CC=CC=C1)N1CC(C(CC1)C(=O)OCC)=O.Cl.N=C(C)N>ClCCl.CCO[H].CC[O-].[Na+]>C(C1=CC=CC=C1)N1CC=2N=C(NC(C2CC1)=O)C
3
C=1NC(C=C2C1C(CCCC2)=O)=O>CC(C)O.C(#N)[BH3-].[Na+].C(C)(=O)[O-].[NH4+]>NC1CCCCC=2C1=CNC(C2)=O
3
Br[C:2]1[CH:7]=[CH:6][C:5]([F:8])=[C:4]([O:9][CH2:10][CH3:11])[CH:3]=1.[Li]CCCC.[B:17](OC)([O:20]C)[O:18]C>C1COCC1>[CH2:10]([O:9][C:4]1[CH:3]=[C:2]([B:17]([OH:20])[OH:18])[CH:7]=[CH:6][C:5]=1[F:8])[CH3:11]
1
ClC1=CC=C(C[C@H](C(=O)N2CCC(CC2)(CN2N=CN=C2)C2CCCCC2)NC2CCC(CC2)N2C(CCC2)=O)C=C1>C(C)OCC.Cl.C(C)(=O)OCC>Cl.ClC1=CC=C(C[C@H](C(=O)N2CCC(CC2)(CN2N=CN=C2)C2CCCCC2)NC2CCC(CC2)N2C(CCC2)=O)C=C1
3
COC(C#CC1CC1)=O.N=1C=NN2C1C=C(C=C2)C(C)C2=CC=C(C=C2)NC2=NC=NC1=CC=C(C=C21)N>C1CCCO1.[Cl-].[NH4+].C[Al](C)C>C1(CC1)C#CC(=O)NC=1C=C2C(=NC=NC2=CC1)NC1=CC=C(C=C1)C(C)C1=CC=2N(C=C1)N=CN2
3
Br[C:2]1[CH:10]=[C:9]2[C:5]([CH2:6][N:7]3[C:13]([C:14]4[C:15]([C:20]5[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=5)=[N:16][O:17][C:18]=4[CH3:19])=[N:12][N:11]=[C:8]32)=[CH:4][CH:3]=1.Br[C:27]1[CH:28]=[N:29][CH:30]=[CH:31][CH:32]=1>>[CH3:19][C:18]1[O:17][N:16]=[C:15]([C:20]2[CH:21]=[CH:22][CH:23]=[CH:24][CH:25]=2)[C:14]=1[C:1...
2
N1N=C(C=C1C(=O)OCC)C(=O)OCC.Br.BrCC(=O)C1=CC2=C(N(C=N2)C)C=C1>C([O-])([O-])=O.[K+].[K+].CC(=O)C>CN1C=NC2=C1C=CC(=C2)C(CN2N=C(C=C2C(=O)OCC)C(=O)OCC)=O
3
[CH2:1]([O:8][CH2:9][CH2:10][NH:11][C:12]([CH3:19])([CH3:18])[C:13]([O:15]CC)=O)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[NH2:20][C:21](N)=[O:22]>O>[CH2:1]([O:8][CH2:9][CH2:10][N:11]1[C:12]([CH3:18])([CH3:19])[C:13](=[O:15])[NH:20][C:21]1=[O:22])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1
1
[S:1]1[CH:5]=[CH:4][C:3]([CH:6](Cl)[C:7]2[CH:11]=[CH:10][S:9][CH:8]=2)=[CH:2]1.[OH:13][CH:14]1[CH2:19][CH2:18][N:17]([CH2:20][CH2:21][CH2:22][O:23][C:24]2[CH:29]=[CH:28][C:27]([CH3:30])=[CH:26][C:25]=2[N+:31]([O-:33])=[O:32])[CH2:16][CH2:15]1.OC1CCN(CCCOC2C=CC=CC=2[N+]([O-])=O)CC1>>[S:1]1[CH:5]=[CH:4][C:3]([CH:6]([C:7]...
1
C(=O)C1=CC=C(OCC(=O)OCC)C=C1>O.C1=CC=CC=C1.C(CCC)N>C(CCC)N=C=C1CC=C(OCC(=O)OCC)C=C1
3
C(C1=CC=CC=C1)Br.OC=1C(=CC=2C[C@@H]3[C@@H]4CCCC[C@@]4(C2C1)CCN3C(=O)OCC3=CC=CC=C3)I>>C(C1=CC=CC=C1)OC=1C(=CC=2C[C@@H]3[C@@H]4CCCC[C@@]4(C2C1)CCN3C(=O)OCC3=CC=CC=C3)I
5
NC1=C(SC=C1)C(=O)OC.C1CCC2=CC(=CC=C12)S(=O)(=O)Cl>>C1CCC2=CC(=CC=C12)S(=O)(=O)NC1=C(SC=C1)C(=O)OC
5
C(C)N(CCCNC(=O)NC1=NC=CC(=C1)OC1=C(C=C(C=C1)[N+](=O)[O-])F)CC>C1CCCO1.CO[H].[HH].[Pd]>C(C)N(CCCNC(=O)NC1=NC=CC(=C1)OC1=C(C=C(C=C1)N)F)CC
3
F[C:2]1[CH:9]=[CH:8][C:7]([F:10])=[CH:6][C:3]=1[CH:4]=O.C(=O)([O-])[O-].[K+].[K+].[C:17]([O:21][CH2:22][CH3:23])(=[O:20])[CH2:18][SH:19].O>CN(C=O)C>[F:10][C:7]1[CH:8]=[CH:9][C:2]2[S:19][C:18]([C:17]([O:21][CH2:22][CH3:23])=[O:20])=[CH:4][C:3]=2[CH:6]=1
1
[CH2:1]([O:3][C:4](=[O:37])[N:5]([CH2:22][C:23]1[CH:28]=[C:27]([C:29]([F:32])([F:31])[F:30])[CH:26]=[C:25]([C:33]([F:36])([F:35])[F:34])[CH:24]=1)[CH2:6][C:7]1[C:8]([S:18][CH2:19][CH2:20][CH3:21])=[N:9][C:10]2[C:15]([CH:16]=1)=[CH:14][CH:13]=[CH:12][C:11]=2[CH3:17])[CH3:2].[OH2:38]>CO.C(Cl)Cl>[CH2:1]([O:3][C:4](=[O:37]...
1
[C:1]([N:8]1[CH2:15][CH2:14][CH2:13][C@H:9]1[C:10]([OH:12])=O)([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])=[O:2].CCN(CC)CC.ClC(OCC)=O.[CH3:29][C:30]1[CH:31]=[C:32]([CH:34]=[C:35]([CH3:37])[CH:36]=1)[NH2:33]>C(Cl)Cl.[Cl-].[Na+].O>[CH3:29][C:30]1[CH:31]=[C:32]([NH:33][C:10]([C@@H:9]2[CH2:13][CH2:14][CH2:15][N:8]2[C:1]([O:3][C:4...
1
[OH:1][C:2]1[CH:10]=[CH:9][C:8]([C:11]2[N:12]([C:27]([O:29][C:30]([CH3:33])([CH3:32])[CH3:31])=[O:28])[C:13]3[C:18]([CH:19]=2)=[CH:17][C:16]([CH2:20][N:21]2[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]2)=[CH:15][CH:14]=3)=[C:7]2[C:3]=1[CH2:4][NH:5][C:6]2=[O:34].C(N(CC)CC)C.[F:42][C:43]([F:49])([F:48])[S:44](Cl)(=[O:46])=[O:...
1
Cl[C:2]1[C:7]([Cl:8])=[CH:6][C:5]([Cl:9])=[CH:4][N:3]=1.COCCOC.Cl.[NH2:17][C:18]1[C:19]([CH3:39])=[C:20]([C:35]([O:37][CH3:38])=[O:36])[CH:21]=[C:22]([C:24]2[CH:29]=[CH:28][CH:27]=[C:26]([S:30]([CH2:33][CH3:34])(=[O:32])=[O:31])[CH:25]=2)[CH:23]=1.C(=O)([O-])[O-].[K+].[K+]>C([O-])(=O)C.[Pd+2].C([O-])(=O)C.C1(P(C2C=CC=C...
2
OC(CC(=O)OC(C)(C)C)(C(C)C)C=1C(=NC=CC1)NC(C(C)(C)C)=O>Cl>C(C)(C)C1=CC(NC2=NC=CC=C12)=O
3
NC1CN(C1)C(=O)OC(C)(C)C.BrC1=C(C=C2C(=NC(=NC2=C1F)Cl)Cl)Cl>ClCCl.CCN(CC)CC>BrC1=C(C=C2C(=NC(=NC2=C1F)Cl)NC1CN(C1)C(=O)OC(C)(C)C)Cl
3
OCC1=NC=CC=C1.C(C#C)NC1=C(C=C(C(=C1)F)[N+](=O)[O-])[N+](=O)[O-]>O.O.C(C)(=O)[O-].[Cu+2].C(C)(=O)[O-]>[N+](=O)([O-])C1=C(C=C(C(=C1)[N+](=O)[O-])F)NCC#CC#CCNC1=C(C=C(C(=C1)F)[N+](=O)[O-])[N+](=O)[O-]
3
FC(F)(F)C(O)=O.FC(F)(F)S(O)(=O)=O.COC1C=CC(C[S:23][C@@H:24]2[CH2:28][N:27]([C:29]([O:31][CH2:32][C:33]3[CH:38]=[CH:37][C:36]([N+:39]([O-:41])=[O:40])=[CH:35][CH:34]=3)=[O:30])[C@H:26]([C:42]([N:44]3[CH2:48][CH2:47][C@H:46]([NH:49][C:50]([O:52][CH2:53][C:54]4[CH:59]=[CH:58][C:57]([N+:60]([O-:62])=[O:61])=[CH:56][CH:55]=...
1
C(C)(C)NCC(COC=1SC=CN1)O>C(C)OCC.Cl>Cl.C(C)(C)NCC(COC=1SC=CN1)O
3
[Cl:1][C:2]1[CH:11]=[C:10]([O:12][CH3:13])[C:9]([N:14]2[CH:18]=[CH:17][CH:16]=[N:15]2)=[CH:8][C:3]=1[C:4](OC)=[O:5].[NH3:19]>CO>[Cl:1][C:2]1[CH:11]=[C:10]([O:12][CH3:13])[C:9]([N:14]2[CH:18]=[CH:17][CH:16]=[N:15]2)=[CH:8][C:3]=1[C:4]([NH2:19])=[O:5]
2
ONC(N1CCN(CC1)C(=O)OC(C)(C)C)=N.CC1=NC(=CC(=C1)C1=C(C2=C(N1)C=C(S2)C(=O)O)C(C)C)C>C(=O)(C=1NC=CN1)C=1NC=CN1.O1CCOCC1>CC1=NC(=CC(=C1)C1=C(C2=C(N1)C=C(S2)C2=NC(=NO2)N2CCN(CC2)C(=O)OC(C)(C)C)C(C)C)C
3
[Cl-].[Cl:2][C:3]1[CH:28]=[CH:27][CH:26]=[CH:25][C:4]=1[CH2:5][P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.C([N-]C(C)C)(C)C.[Li+].[CH2:37]([O:39][C:40]([C:42]1[N:43]([CH2:49][CH2:50][CH2:51][O:52][CH3:53])[C:44]([CH:47]=O)=[CH:45][CH:46]=1)=[O:41])[CH3:38]>C1COCC1>[CH2:37]([O:39][C:40]([C:42]1[N:43]([CH2:49][CH2:50][CH2:5...
2
CC1=NC2=CC=C(C=C2C(=C1)N1CC(CC1)N)OC1=CC=CC=C1>C1(=CC=CC=C1)C.C(C)OCC.BrC1=CC=CC=C1.[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+].C1(CCCCC1)P(C1=C(C=CC=C1)C1=C(C=CC=C1)N(C)C)C1CCCCC1>CC1=NC2=CC=C(C=C2C(=C1)N1CC(CC1)NC1=CC=CC=C1)OC1=CC=CC=C1
3
S(S([O-])=O)([O-])=O.[Na+].[Na+].[Na].[NH2:10][C:11]1[N:12]=[C:13]([C:20]2[CH:25]=[C:24]([CH3:26])[CH:23]=[CH:22][C:21]=2[O:27][CH2:28][CH2:29][CH3:30])[NH:14][C:15](=[O:19])[C:16]=1[N:17]=O>O>[NH2:10][C:11]1[N:12]=[C:13]([C:20]2[CH:25]=[C:24]([CH3:26])[CH:23]=[CH:22][C:21]=2[O:27][CH2:28][CH2:29][CH3:30])[NH:14][C:15]...
1
[C:1]([CH2:3][C:4]1[N:5]=[C:6]([C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)[S:7][CH:8]=1)#[N:2].C([Li])CCC.[CH3:20][N:21]1[C:25]([Cl:26])=[C:24]([C:27](Cl)=[O:28])[C:23]([Cl:30])=[N:22]1.Cl>C1COCC1>[CH3:20][N:21]1[C:25]([Cl:26])=[C:24]([C:27]([OH:28])=[C:3]([C:4]2[N:5]=[C:6]([C:9]3[CH:14]=[CH:13][CH:12]=[CH:11][CH:10...
1
[NH2:1][CH2:2][CH:3]1[CH2:8][C:7]([CH2:9][CH2:10][CH2:11][CH2:12][CH3:13])=[C:6]([CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])[CH2:5][S:4]1.[CH:19]([C:22]1[CH:27]=[CH:26][CH:25]=[C:24]([CH:28]([CH3:30])[CH3:29])[C:23]=1[N:31]=[C:32]=[O:33])([CH3:21])[CH3:20]>[Cl-]>[CH:19]([C:22]1[CH:27]=[CH:26][CH:25]=[C:24]([CH:28]([CH3:2...
1
[CH2:1]([C:9]1[CH:10]=[N:11][C:12]([C:15]2[CH:20]=[CH:19][C:18]([OH:21])=[CH:17][CH:16]=2)=[N:13][CH:14]=1)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8].[F:22][C:23]([F:46])([O:28][C:29]([F:45])([F:44])[C:30]([F:43])([F:42])[O:31][C:32]([F:41])([F:40])[CH2:33][O:34][CH2:35][CH2:36][CH2:37][CH2:38]Br)[C:24]([F:27])(...
1
C(OC1=C(C=C(C(=C1)[N+](=O)[O-])C)C1C2CC3CC(CC1C3)C2)(OCC)=O>>C12C(C3CC(CC(C1)C3)C2)C2=C(C=C(C(=C2)C)[N+](=O)[O-])O
5
Br[C:2]1[CH:10]=[CH:9][C:5]2[O:6][CH:7]=[CH:8][C:4]=2[CH:3]=1.BrC1C=C[C:15]([OH:18])=CC=1.C(OC(OCC)CBr)C>>[O:6]1[CH:7]=[CH:8][C:4]2[CH:3]=[C:2]([CH:15]=[O:18])[CH:10]=[CH:9][C:5]1=2
1
[NH2:1][C@H:2]1[CH2:7][CH2:6][N:5]([C:8]2[O:9][C:10]([CH2:20][CH3:21])=[C:11]([C:13]([O:15][CH2:16][CH2:17][CH2:18][CH3:19])=[O:14])[N:12]=2)[CH2:4][C@H:3]1[O:22][CH3:23].[Cl:24][C:25]1[N:26]=[C:27]([C:32](O)=[O:33])[NH:28][C:29]=1[CH2:30][CH3:31].CCN=C=NCCCN(C)C.Cl.C1C=CC2N(O)N=NC=2C=1>ClCCl.CC(N(C)C)=O>[Cl:24][C:25]1...
1
C(#N)CP(OCC)(OCC)=O.O=C1CCC2CN(CC21)C(=O)OC(C)(C)C>C1CCCO1.CC(C)(C)[O-].[Na+].[Cl-].[NH4+]>C(#N)\C=C/1\CCC2CN(CC21)C(=O)OC(C)(C)C
3
[H-].[Al+3].[Li+].[H-].[H-].[H-].C([O:9][C:10](=O)[CH:11]=[C:12]1[CH2:15][N:14]([CH:16]([C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)[C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)[CH2:13]1)C.O.[OH-].[Na+]>O1CCCC1>[CH:16]([N:14]1[CH2:15][CH:12]([CH2:11][CH2:10][OH:9])[CH2:13]1)([C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][C...
2
C(=C)B1OC(C)(C)C(C)(C)O1.COC(=O)C=1C(N(C=C(C1)Br)C)=O>O.C(C)(=O)OCC.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>CN1C(C(=CC(=C1)C=C)C(=O)O)=O
3
[NH2:1][C:2]1[CH:3]=[C:4]([C:8]2[S:12][C:11]([C:13]3[CH:14]=[C:15]4[C:19](=[CH:20][CH:21]=3)[C:18](=[O:22])[N:17]([CH3:23])[CH2:16]4)=[CH:10][CH:9]=2)[CH:5]=[N:6][CH:7]=1.[C:24]1([S:30](Cl)(=[O:32])=[O:31])[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1>>[CH3:23][N:17]1[CH2:16][C:15]2[C:19](=[CH:20][CH:21]=[C:13]([C:11]3[S:12]...
2
[Br:1]Br.[Br:3][C:4]1[C:13]2[S:14][C:15]([CH3:18])=[C:16]([CH3:17])[C:12]=2[C:11]([C:19]2[CH:24]=[CH:23][C:22]([OH:25])=[C:21]([N+:26]([O-:28])=[O:27])[CH:20]=2)=[C:10]2[C:5]=1[CH:6]=[CH:7][CH:8]=[CH:9]2.C([O-])(=O)C.[K+].O>C(O)(=O)C>[Br:1][C:23]1[CH:24]=[C:19]([C:11]2[C:12]3[C:16]([CH3:17])=[C:15]([CH3:18])[S:14][C:13...
1
C(C)OC(CC1=C(C=NC=C1)/C=C/C(=O)OCC)=O>CCO[H].[HH].C(C)(=O)OCC.[Pd]>C(C)OC(CC1=C(C=NC=C1)CCC(=O)OCC)=O
3
COC(=O)C1=NC=CC=C1Br.C(C)(C)C=1C=C(C=CC1)[C@H](C)NC(=O)C1=CC2=C(N(C=N2)CC2=CC=C(C=C2)B2OC(C(O2)(C)C)(C)C)C=C1>>C(C)(C)C=1C=C(C=CC1)[C@H](C)NC(=O)C1=CC2=C(N(C=N2)CC2=CC=C(C=C2)C=2C(=NC=CC2)C(=O)OC)C=C1
5
O=C1CCC(CC1)N1C(C2=CC=CC=C2C1=O)=O>>BrC1CC(CCC1N1C(C=2C(C1=O)=CC=CC2)=O)=O
5
[Cl:1][CH:2]([Cl:18])[S:3]([C:5]1[C:14](=[O:15])[C:13]2[C:8](=[CH:9][C:10]([F:16])=[CH:11][CH:12]=2)[N:7]([CH3:17])[CH:6]=1)=[O:4].ClC(Cl)SC1C(=O)C2C(=CC(F)=CC=2)N(C)C=1.[Cl:36][C:37]1[CH:42]=[CH:41][CH:40]=[C:39]([C:43]([O:45][OH:46])=[O:44])[CH:38]=1>ClCCl>[Cl:1][CH2:2][S:3][C:5]1[C:14](=[O:15])[C:13]2[C:8](=[CH:9][C...
1
C1=C(N=C2C1=C1C=CN=C1C=C2)C(=O)OC.N(=[N+]=[N-])C(C(=O)OC)=CC1=C2C=CNC2=CC=C1.C1CNC=2C1=C1C=C(NC1=CC2)C(=O)OC.Br.C(C)(=O)OCC>N(C)(C)C=O.CCN=C=NCCCN(C)C>C(C)(C)(C)OC(=O)N1CCC2=C3C=C(NC3=CC=C21)C(=O)OC
3
NC(C(=O)O)CNC(=O)C=1C=C2C=NN(C2=CC1)CCCNC=1N(C=CN1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1>>NC(C(=O)O)CNC(=O)C=1C=C2C=NN(C2=CC1)CCCNC=1NC=CN1
5
COC=1C=C2C3=C(N(C2=CC1)CC1=CC=C(C(=O)OC)C=C1)CN1CN(C(C3C1)=O)C>O.C1CCCO1.COC=1C=CC(=CC1)P2(=S)SP(=S)(S2)C=3C=CC(=CC3)OC>COC=1C=C2C3=C(N(C2=CC1)CC1=CC=C(C(=O)OC)C=C1)CN1CN(C(C3C1)=S)C
3
COC(CCC1=CN=C(S1)[C@H]1N(CCC1)C(CC1=C(C=C(C(=C1)Cl)NC(=O)C1=CN(C2=CC=CC=C12)C)Cl)=O)=O>>ClC1=C(C=C(C(=C1)NC(=O)C1=CN(C2=CC=CC=C12)C)Cl)CC(=O)N1[C@@H](CCC1)C=1SC(=CN1)CCC(=O)O
5
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([C:14]2[C:19]([NH2:20])=[CH:18][CH:17]=[C:16](Br)[N:15]=2)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[CH2:22](C([Sn])=C(CCCC)CCCC)[CH2:23]CC>C1(C)C=CC=CC=1.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=...
1
[CH3:1][CH2:2][O:3][C:4]([C:6]1[NH:7][C:8]2[C:13]([CH:14]=1)=[CH:12][C:11]([C:15]([OH:17])=O)=[CH:10][CH:9]=2)=[O:5].F[B-](F)(F)F.N1(OC(N(C)C)=[N+](C)C)C2C=CC=CC=2N=N1.[NH:40]1[CH2:44][CH2:43][CH2:42][C@@H:41]1[CH2:45][N:46]1[CH2:50][CH2:49][CH2:48][CH2:47]1.C(N(CC)C(C)C)(C)C>CN(C)C=O>[CH2:2]([O:3][C:4]([C:6]1[NH:7][C:...
1
FC=1C=C(C=C(C1)F)C1=C(C(C2=CC=C(C=C12)OCCN1CCOCC1)=O)C=1C=NC=CC1.CS(=O)(=O)N1CCN(CC1)CCOS(=O)(=O)C>>FC=1C=C(C=C(C1)F)C1=C(C(C2=CC=C(C=C12)OCCN1CCN(CC1)S(=O)(=O)C)=O)C=1C=NC=CC1
5
Cl.N1CC(C1)N1N=CC(=C1)[N+](=O)[O-]>ClCCl.CCN(CC)CC.CS(=O)(=O)Cl>CS(=O)(=O)N1CC(C1)N1N=CC(=C1)[N+](=O)[O-]
3
O[C:2]1[CH:3]=[C:4]([C:8]2[C:13](=[O:14])[NH:12][C:11]3[N:15]=[CH:16][CH:17]=[CH:18][C:10]=3[N:9]=2)[CH:5]=[CH:6][CH:7]=1.[C:19]([O:22][C:23](=[O:25])[CH3:24])(=O)[CH3:20].C(N([CH2:31][CH3:32])CC)C.[C:33](OCC)(=O)[CH3:34].Cl[CH2:40]Cl>CN(C)C1C=CN=CC=1>[C:23]([O:22][C:19]1[CH:33]=[C:34]([N:12]2[C:13](=[O:14])[C:8]([CH2:...
1
FC1=C(C=CC=C1F)C1=CC=C(C=N1)CC(C(=O)N(C)C)NC(OC(C)(C)C)=O>Cl.O1CCOCC1>Cl.NC(C(=O)N(C)C)CC=1C=NC(=CC1)C1=C(C(=CC=C1)F)F
3
[CH3:1][C@@:2]12[C:8]([CH3:10])([CH3:9])[C@@H:5]([CH2:6][CH2:7]1)[C:4](=O)[C:3]2=O.COP([CH2:19][C:20]([C:22]1[CH:23]=[N:24][N:25]([C:33]([CH3:36])([CH3:35])[CH3:34])[C:26]=1[C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1)=O)(=O)OC.O.[NH2:38][NH2:39]>>[C:33]([N:25]1[C:26]([C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=2)=[...
1
C([N:5]=C=[O:7])(C)(C)C.O.[NH2:9][C:10]1[C:11]([C:18]([N:20]=[CH:21][NH:22]NC(NC(C)(C)C)=O)=[O:19])=[N:12][C:13]([Cl:17])=[C:14]([NH2:16])[N:15]=1.[NH2:31][C:32]1[C:33]([C:40]([N:42]=[CH:43][NH:44][NH:45][C:46]([NH:48]C(C)(C)C)=[O:47])=[O:41])=[N:34][C:35]([Cl:39])=[C:36]([NH2:38])[N:37]=1>>[OH2:7].[ClH:17].[NH2:31][C:...
1
FC=1C(=C2C=3N([C@H](CO2)C)C=C(C(C3C1)=O)C(=O)O)F.C(C)(C)(C)OC(=O)N[C@@H]1CNC[C@@H]1C>CS(=O)C>C(C)(C)(C)OC(=O)N[C@@H]1CN(C[C@@H]1C)C=1C(=CC2=C3N([C@H](COC31)C)C=C(C2=O)C(=O)O)F
3
[O:1]=[C:2]1[C:7]([CH2:8][N:9]2C(=O)C3C(=CC=CC=3)C2=O)=[CH:6][CH:5]=[N:4][NH:3]1.O.NN>CO>[NH2:9][CH2:8][C:7]1[C:2](=[O:1])[NH:3][N:4]=[CH:5][CH:6]=1
1
ClC1=CC(=C(OCC(=O)N2[C@@H](CN([C@H](C2)C)CC2=CC=C(C=C2)F)C)C=C1)CO.C=1(C(=CC=CC1)S(=O)(=O)N=C=O)C>>ClC=1C=CC(=C(COC(NS(=O)(=O)C2=C(C=CC=C2)C)=O)C1)OCC(=O)N1[C@@H](CN([C@H](C1)C)CC1=CC=C(C=C1)F)C
5
[Cl-].O[NH3+:3].[C:4](=[O:7])([O-])[OH:5].[Na+].CS(C)=O.[Si]([O:20][CH:21]([CH:58]([F:60])[F:59])[CH2:22][O:23][C@H:24]1[CH2:29][CH2:28][C@H:27]([N:30]2[C:35](=[O:36])[C:34]([CH2:37][C:38]3[CH:43]=[CH:42][C:41]([C:44]4[C:45]([C:50]#[N:51])=[CH:46][CH:47]=[CH:48][CH:49]=4)=[CH:40][CH:39]=3)=[C:33]([CH2:52][CH2:53][CH3:5...
1
Cl[C:2]1[CH:7]=[C:6]([C:8]2[CH:13]=[C:12]([Br:14])[CH:11]=[CH:10][C:9]=2[O:15][CH3:16])[N:5]=[C:4]([NH2:17])[N:3]=1.[F:18][C:19]([F:28])([F:27])[C:20]1[CH:25]=[CH:24][C:23]([NH2:26])=[CH:22][CH:21]=1>>[Br:14][C:12]1[CH:11]=[CH:10][C:9]([O:15][CH3:16])=[C:8]([C:6]2[N:5]=[C:4]([NH2:17])[N:3]=[C:2]([NH:26][C:23]3[CH:24]=[...
2