Datasets:
Derify
/
ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
ClC=1N=C2C(=NC1Cl)C=NC=C2.Cl.FC1=C(C=CC(=C1)F)C(C1CCNCC1)F>ClCCl.C(C)(=O)OCC.C(C)(C)N(C(C)C)CC.[Cl-].[NH4+]>ClC1=C(N=C2C(=N1)C=NC=C2)N2CCC(CC2)C(F)C2=C(C=C(C=C2)F)F
3
C(=O)([O-])[O-].[K+].[K+].Br[CH2:8][CH2:9][Cl:10].[CH2:11]([O:18][C:19]1([OH:54])[CH2:32][C:31]([O:34][CH2:35][C:36]2[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=2)([OH:33])[C:30]([C:42]([N:44]2[CH2:52][C:51]3[C:46](=[CH:47][CH:48]=[C:49]([OH:53])[CH:50]=3)[CH2:45]2)=[O:43])=[CH:29][CH:20]1[C:21]([N:23]([CH2:25][CH2:26][CH2:2...
1
[Cl:1][C:2]1[CH:3]=[C:4]([CH:42]=[CH:43][CH:44]=1)[O:5][C:6]1[CH:7]=[C:8]2[C:13](=[CH:14][CH:15]=1)[CH2:12][N:11]([C:16](=[O:30])[C@@H:17]([NH:22][C:23]1[CH:28]=[CH:27][C:26]([F:29])=[CH:25][CH:24]=1)[C:18]([CH3:21])([CH3:20])[CH3:19])[CH:10]([C:31]([NH:33][C@:34]1([C:39](O)=[O:40])[CH2:36][C@H:35]1[CH:37]=[CH2:38])=[O...
1
C(CC(C)C)=O.NN1C(CCC1)C(=O)OC>>COC(=O)C1N(CCC1)N=CCC(C)C
5
C1(=CC=CC=C1)CCN.C(C)C=1C(=NC(=NC1C)C=1SC(=CC1)CCC=O)NC1=CC=C(C=C1)CC(=O)OCC>>C(C)C=1C(=NC(=NC1C)C=1SC(=CC1)CCCNC)NC1=CC=C(C=C1)CC(=O)OCC
5
[CH3:1][C:2]1[CH:3]=[N:4][CH:5]=[C:6]([CH:10]=1)[C:7](O)=[O:8].FC1C=C(C(O)=O)C=C(C=1)C(O)=O.[H-].[H-].[H-].[H-].[Li+].[Al+3]>C1COCC1>[CH3:1][C:2]1[CH:10]=[C:6]([CH2:7][OH:8])[CH:5]=[N:4][CH:3]=1
1
[CH3:1][C:2]1([CH3:33])[C:11]2[C:6](=[CH:7][CH:8]=[C:9]([C:12]#[C:13][C:14]3[CH:24]=[CH:23][C:17]([C:18]([O:20]CC)=[O:19])=[CH:16][CH:15]=3)[CH:10]=2)[N:5]([CH2:25][C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=2)[C:4](=[O:32])[CH2:3]1.[Li+].[OH-].CC1(C)C2C(=CC=C(C#CC3C=CC(C(O)=O)=CC=3)C=2)NC(OC(C)C)C1>C1COCC1.CCO>[CH3:1...
1
COC1=C(C=C(C=C1)C(=O)O)B(O)O.BrC=1C=C2C(=NC1Cl)OC(=C2C(=O)NC)C2=CC=C(C=C2)F>>ClC1=C(C=C2C(=N1)OC(=C2C(NC)=O)C2=CC=C(C=C2)F)C=2C=C(C(=O)O)C=CC2OC
5
C(C)(C)(C)OC(=O)N(C)CCCC(=O)O.Cl.CC(C)OC1=C(C#N)C=C(C=C1)C1=NC(=NO1)C1=CC2=C(CCNCC2)C=C1>>CNCCCC(=O)N1CCC2=C(CC1)C=CC(=C2)C2=NOC(=N2)C=2C=CC(=C(C#N)C2)OC(C)C
5
Cl.Cl.[CH3:3][N:4]([CH3:12])[C:5]1[CH:10]=[CH:9][CH:8]=[C:7]([NH2:11])[CH:6]=1.C(N(CC)CC)C.[CH2:20]([O:22][C:23](=[O:37])[CH:24]([CH2:28][C:29](=O)[C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1)[C:25](=O)[CH3:26])[CH3:21].CC1C=CC(S(O)(=O)=O)=CC=1>C(O)C>[CH2:20]([O:22][C:23]([C:24]1[CH:28]=[C:29]([C:30]2[CH:35]=[CH:34][...
1
Cl.C(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)SCCN.CC1=C2C=C(NC2=C(C=C1)NS(=O)(=O)C=1SC=CC1)C(=O)O>>CC1=C2C=C(NC2=C(C=C1)NS(=O)(=O)C=1SC=CC1)C(=O)NCCSC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
5
NC[C@@H]1CCC(N1)=O.ClC1=C(C=CC=C1C1=C(C(=CC=C1)C1=NC(=C(C(=C1)F)C=O)OC)Cl)C1=CC=2N(C(C(=CN2)C=O)=O)C=C1>O.C1CCCO1.CO[H].C(C)(=O)O.C(#N)[BH3-].[Na+]>ClC1=C(C=CC=C1C1=C(C(=CC=C1)C1=NC(=C(C(=C1)F)CNC[C@H]1NC(CC1)=O)OC)Cl)C1=CC=2N(C(C(=CN2)CNC[C@H]2NC(CC2)=O)=O)C=C1
3
C(C1=CC=CC=C1)OC(=O)N1CCC(CC1)C(NC1=NC=NC(=C1)Cl)=O.C1(CC1)COC1=C(C=CC=C1)B(O)O>c3c(P(c1ccccc1)c2ccccc2)cccc3.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+]>C(C1=CC=CC=C1)OC(=O)N1CCC(CC1)C(NC1=NC=NC(=C1)C1=C(C=CC=C1)OCC1CC1)=O
3
[C:1]([O:4][CH2:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([C:14]2[CH:19]=[C:18](I)[C:17]([O:21][CH3:22])=[CH:16][C:15]=2[F:23])[CH2:10][CH2:9]1)=[O:7])(=[O:3])[CH3:2].[F:24][C:25]([F:64])([F:63])[C:26]1[CH:27]=[C:28]([C@H:36]2[O:40][C:39](=[O:41])[N:38]([CH2:42][C:43]3[CH:48]=[C:47]([C:49]([F:52])([F:51])[F:50])[CH:46]=[CH...
1
[S:1]1[CH:5]=[CH:4][C:3]2[CH:6]=[CH:7][CH:8]=[C:9]([NH2:10])[C:2]1=2.[Br:11]Br>C(Cl)Cl>[Br:11][C:6]1[C:3]2[CH:4]=[CH:5][S:1][C:2]=2[C:9]([NH2:10])=[CH:8][CH:7]=1
2
C(C)(C)(C)OC(NC1=C(C=CC=C1)NC(=O)C=1OC2=C(C1)C=C(C=C2)C=C)=O>C1CCCO1.B1C2CCCC1CCC2>C(C)(C)(C)OC(NC1=C(C=CC=C1)NC(=O)C=1OC2=C(C1)C=C(C=C2)CCO)=O
3
C(OC1=CC=C(C=C1)[N+](=O)[O-])(OC(CC)CC)=O.NC1=C2N=CN(C2=NC(=N1)F)[C@H]1C[C@@H]([C@@](O1)(C#C)CO[P@](=O)(OC1=CC=CC=C1)N[C@@H](CC1=CC=CC=C1)C(=O)OC(CCCCCCCCCCC)CCCCCCCCCCC)O>C1(=CC=NC=C1)N(C)C.ClCCl.CCN(CC)CC>NC1=C2N=CN(C2=NC(=N1)F)[C@H]1C[C@@H]([C@@](O1)(C#C)CO[P@](=O)(OC1=CC=CC=C1)N[C@@H](CC1=CC=CC=C1)C(=O)OC(CCCCCCCCC...
3
[OH:1][C:2]1[C:9]([CH:10]([CH3:12])[CH3:11])=[CH:8][CH:7]=[CH:6][C:3]=1[CH:4]=[O:5].[CH2:13](Br)[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1.C(=O)([O-])[O-].[K+].[K+].Cl>CN(C)C=O>[CH2:13]([O:1][C:2]1[C:9]([CH:10]([CH3:12])[CH3:11])=[CH:8][CH:7]=[CH:6][C:3]=1[CH:4]=[O:5])[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1
2
NC[C@@H]1CCC(N1)=O.ClC=1C(=NC=CC1C=1C(=C(C=CC1)NC(C1=NC=C(C=C1)C=O)=O)C)C1=CC(=C(C(=C1)OC)C=O)F>C1CCCO1.CO[H].C(C)(=O)O.C(#N)[BH3-].[Na+]>ClC=1C(=NC=CC1C=1C(=C(C=CC1)NC(C1=NC=C(C=C1)CNC[C@H]1NC(CC1)=O)=O)C)C1=CC(=C(C(=C1)OC)CNC[C@H]1NC(CC1)=O)F
3
C=C1CS[C@H]2N([C@H]1C(=O)OC(C)(C)C)C([C@H]2NC(CC2=CC=CC=C2)=O)=O>O.ClCCl.Cl.[Ti](Cl)(Cl)(Cl)Cl>C=C1CS[C@H]2N([C@H]1C(=O)O)C([C@H]2NC(CC2=CC=CC=C2)=O)=O
3
I[Si](C)(C)C.C(C)(C)(C)OC(=O)N1CCC(CC1)OCC1=NOC(=N1)C1=CC(=NC=C1)C#N>>N1CCC(CC1)OCC1=NOC(=N1)C1=CC(=NC=C1)C#N
5
C(C)OC(CCNC)=O.BrC1=CC=C2C(=N1)C(=C(O2)C(C2CCCCC2)NC2=CC=C(C(=O)O)C=C2)C>N(C)(C)C=O.CCN(CC)CC.Cl.C(C)N=C=NCCCN(C)C.O.ON1N=NC2=C1C=CC=C2>BrC1=CC=C2C(=N1)C(=C(O2)C(C2CCCCC2)NC2=CC=C(C=C2)C(=O)N(CCC(=O)OCC)C)C
3
N(C(C)(C)C#N)=N[C:3](C)(C)[C:4]#N.[C:13]([O:17][CH2:18][CH2:19][CH2:20]C)(=[O:16])[CH:14]=[CH2:15].[CH3:22]N(C)C=O.[CH3:27][CH2:28][CH2:29][CH2:30][CH2:31][CH3:32]>C(Cl)(Cl)Cl>[CH2:27]=[CH:28][C:29]1[CH:4]=[CH:3][CH:32]=[CH:31][CH:30]=1.[C:13]([O:17][CH:18]([CH2:19][CH3:20])[CH3:22])(=[O:16])[CH:14]=[CH2:15]
1
BrC=1C=CC(=C(C1)[C@]1(NC(COC(C1(F)F)(C)C)=S)C)F>CO[H].C(C)(C)(C)OO.N>BrC=1C=CC(=C(C1)[C@]1(N=C(COC(C1(F)F)(C)C)N)C)F
3
C(#N)C1CCNCC1.C1=CNC=2N=CC=3N(C21)C(=CN3)[C@H]3CC(C[C@H]3C)=O>>C1=CNC=2N=CC=3N(C21)C(=CN3)[C@H]3C[C@H](C[C@H]3C)N3CCC(CC3)C#N
5
CN1C=CC=2C1=CN=CC2>C(=O)(C(F)(F)F)O>CN1C=C(C=2C1=CN=CC2)C=O
3
CS(=O)(=O)Cl.NC1CN(CCOC1C1=CC(=C(C=C1)Cl)Cl)C(=O)OC(C)(C)C>>ClC=1C=C(C=CC1Cl)C1C(CN(CCO1)C(=O)OC(C)(C)C)NS(=O)(=O)C
5
S(=O)(=O)(OC)OC.FC=1C(NC=C(C1NC1=CC=C2C=NN(C2=C1)C)C(=O)N1CCC(CC1)C1=CC=C(C=C1)F)=O>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>FC=1C(N(C=C(C1NC1=CC=C2C=NN(C2=C1)C)C(=O)N1CCC(CC1)C1=CC=C(C=C1)F)C)=O
3
ClCCN=C=O.C(C)(C)(C)C=1N=C(SC1)NC(=O)C1=CC=2N(C(C(=C(N2)N2C[C@@H](CCC2)O)\C=C\C=2N=NN(N2)CC2=CC=C(C=C2)OC)=O)C=C1>C1CCCO1.c1ccncc1>ClCCNC(O[C@H]1CN(CCC1)C=1N=C2N(C(C1\C=C\C=1N=NN(N1)CC1=CC=C(C=C1)OC)=O)C=CC(=C2)C(=O)NC=2SC=C(N2)C(C)(C)C)=O
3
N1=CC=CC2=CC=CC(=C12)C(=O)O.NC1=C(C(=O)NCC2CCCCC2)C=C(C=C1)Cl>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>ClC1=CC(=C(C=C1)NC(=O)C=1C=CC=C2C=CC=NC12)C(=O)NCC1CCCCC1
3
[C:1]1([OH:11])[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][CH:2]=1.C([O:19][C:20]1[C:21](=[O:36])[O:22][CH:23]([CH2:33][CH2:34]O)[C:24]=1[O:25]CC1C=CC=CC=1)C1C=CC=CC=1>>[OH:19][C:20]1[C:21](=[O:36])[O:22][CH:23]([CH2:33][CH2:34][O:11][C:1]2[C:10]3[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=3)[CH:4]=[CH:3][CH:2]=2)[C:2...
1
[CH2:1]([N:3]1[CH2:7][CH2:6][CH2:5][C@@H:4]1[CH2:8][OH:9])[CH3:2].[Br:10][C:11]1[CH:12]=[C:13]2[C:18](=[CH:19][CH:20]=1)[CH:17]=[C:16](O)[CH:15]=[CH:14]2>>[CH2:1]([N:3]1[CH2:7][CH2:6][CH2:5][C@@H:4]1[CH2:8][O:9][C:16]1[CH:15]=[CH:14][C:13]2[C:18](=[CH:19][CH:20]=[C:11]([Br:10])[CH:12]=2)[CH:17]=1)[CH3:2]
2
C(C)(C)(C)O[C@H](C(=O)OCC)C1=C(C2=CC=CC(=C2C=C1C)C)OS(=O)(=O)C>>C(C)(C)(C)O[C@H](C(=O)OCC)C1=C(C2=CC=CC(=C2C=C1C)C)O
5
CSC1=CC=C(C=C1)C(=O)C1(CCCCC1)N1CCCC1>ClCCl.ClC=1C=C(C(=O)OO)C=CC1>CS(=O)C1=CC=C(C=C1)C(=O)C1(CCCCC1)N1CCCC1
3
[C:1]([CH2:4][C:5]1[N:6]=[C:7]([C:13]2[CH:18]=[CH:17][C:16]([Cl:19])=[CH:15][CH:14]=2)[S:8][C:9]=1[C:10]([OH:12])=[O:11])([OH:3])=[O:2].S(=O)(=O)(O)O.[CH3:25]O>>[Cl:19][C:16]1[CH:15]=[CH:14][C:13]([C:7]2[S:8][C:9]([C:10]([OH:12])=[O:11])=[C:5]([CH2:4][C:1]([O:3][CH3:25])=[O:2])[N:6]=2)=[CH:18][CH:17]=1
1
OC[C@H](CC)N(S(=O)(=O)C1=C(C=CC=C1)[N+](=O)[O-])CCO>C1(=CC=CC=C1)C.C(#N)C=P(CCCC)(CCCC)CCCC>C(C)[C@@H]1N(CCOC1)S(=O)(=O)C1=C(C=CC=C1)[N+](=O)[O-]
3
[CH3:1][C:2]1[CH:25]=[CH:24][C:5]2[C:6](=[O:23])[N:7]3[CH2:22][CH2:21][CH2:20][CH:8]3[C:9](=[O:19])[N:10]3C(C4C=CC=CC=4)[O:12][C:3]=1[C:4]=23.[CH2:26](O)[CH3:27]>>[CH2:26]([O:19][CH:9]1[CH:8]2[CH2:20][CH2:21][CH2:22][N:7]2[C:6](=[O:23])[C:5]2[CH:24]=[CH:25][C:2]([CH3:1])=[C:3]([OH:12])[C:4]=2[NH:10]1)[CH3:27]
1
FC(F)(F)S([O:6][C:7]1[C:8]2[S:16][C:15](=[O:17])[N:14]([C@H:18]3[C@H:22](OS(C(F)(F)F)(=O)=O)[CH2:21][C@@H:20]([CH2:31][O:32][Si:33]([C:36]([CH3:39])([CH3:38])[CH3:37])([CH3:35])[CH3:34])[O:19]3)[C:9]=2[N:10]=[C:11]([NH2:13])[N:12]=1)(=O)=O.[C-:42]#[N:43].[Na+].CCOC(C)=O>CN(C=O)C>[NH2:13][C:11]1[NH:12][C:7](=[O:6])[C:8]...
1
CN(CC)C.[CH:6]1([C:9]([N:11]2[CH2:17][CH2:16][CH:15]3[CH2:18][N:19](C(OC(C)(C)C)=O)[CH2:20][CH2:21][N:14]3[C:13]3[N:29]=[CH:30][CH:31]=[CH:32][C:12]2=3)=O)[CH2:8][CH2:7]1.[OH-].[Na+].FC(F)(F)C(O)=O>O1CCCC1.CO>[CH:6]1([CH2:9][N:11]2[CH2:17][CH2:16][CH:15]3[CH2:18][NH:19][CH2:20][CH2:21][N:14]3[C:13]3[N:29]=[CH:30][CH:31...
1
C(#C)C=1C(=NC(=CC1)N)N.C(C1=CC=CC=C1)C1=CC=C(C=N1)CC(=NO)Cl>>C(C1=CC=CC=C1)C1=CC=C(C=N1)CC1=NOC(=C1)C=1C(=NC(=CC1)N)N
5
C([O:4][CH2:5][CH2:6][CH2:7][CH2:8][C:9]#[C:10][CH2:11][O:12][C:13]1[CH:18]=[CH:17][C:16]([S:19]([N:22]2[CH2:27][CH2:26][S:25][C:24]([CH3:29])([CH3:28])[C@@H:23]2[C:30]([NH:32][OH:33])=[O:31])(=[O:21])=[O:20])=[CH:15][CH:14]=1)(=O)C.[OH-].[NH4+]>CO>[OH:33][NH:32][C:30]([C@H:23]1[C:24]([CH3:28])([CH3:29])[S:25][CH2:26][...
1
[CH2:1]([O:8][C:9]1[CH:18]=[C:17]2[C:12]([C:13](Cl)=[CH:14][N:15]=[N:16]2)=[CH:11][C:10]=1[O:20][CH3:21])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[F:22][C:23]1[C:31]([OH:32])=[CH:30][CH:29]=[C:28]2[C:24]=1[CH:25]=[C:26]([CH3:33])[NH:27]2.C(=O)([O-])[O-].[Cs+].[Cs+]>CN(C=O)C>[CH2:1]([O:8][C:9]1[CH:18]=[C:17]2[C:12]([C:1...
1
CC1=C(C=CC=C1C(F)(F)F)[C@@H](C)N.ClC1=NN=C(C2=CC(=C(C=C12)OC)OC)C>C1(=CC=CC=C1)C.CC(C)(C)[O-].[K+].CS(=O)(=O)O[Pd]c1ccccc1-c2ccccc2N.COc3ccc(OC)c(c3P(C4CCCCC4)C5CCCCC5)-c6c(cc(cc6C(C)C)C(C)C)C(C)C>COC=1C=C2C(=NN=C(C2=CC1OC)N[C@H](C)C1=C(C(=CC=C1)C(F)(F)F)C)C
3
N[C@H]([C@@H](O)C)C(=O)O.ClC=1C2=C(SC1)C(=CC=C2F)C#N>C([O-])([O-])=O.[K+].[K+].CS(=O)C>ClC=1C2=C(SC1)C(=CC=C2N[C@@H](C(=O)O)[C@H](C)O)C#N
3
C(C)(C)(C)OC(=O)NCC(=O)O.C(C)C1=NN(C=2CC(CC(C12)=O)(C)C)C1=CC(=C(C(=O)N)C(=C1)NC1CCC(CC1)O)F>>C(C)(C)(C)OC(=O)NCC(=O)O[C@@H]1CC[C@H](CC1)NC1=C(C(=CC(=C1)N1N=C(C=2C(CC(CC12)(C)C)=O)CC)F)C(N)=O
5
COC(C=1C=C(C=CC1[N+](=O)[O-])C(=O)C1=CC=CC=C1)OC>Cl.ClC>C(C1=CC=CC=C1)(=O)C=1C=CC(=C(C=O)C1)[N+](=O)[O-]
3
[CH3:1][C:2]1[N:6]=[C:5]([C:7]2[CH:12]=[CH:11][N:10]3[C:13]4[CH2:19][C@H:18]([NH:20]C(=O)OC(C)(C)C)[C@@H:17]([C:28]5[CH:33]=[C:32]([F:34])[C:31]([F:35])=[CH:30][C:29]=5[F:36])[CH2:16][C:14]=4[N:15]=[C:9]3[CH:8]=2)[NH:4][N:3]=1.Cl>O1CCOCC1>[CH3:1][C:2]1[N:6]=[C:5]([C:7]2[CH:12]=[CH:11][N:10]3[C:13]4[CH2:19][C@H:18]([NH2...
2
[Na].C[O:3][C:4](=O)/[C:5](/[CH3:14])=[C:6](\[NH:8][CH2:9][C:10]([O:12][CH3:13])=[O:11])/[CH3:7]>CO>[CH3:13][O:12][C:10]([C:9]1[NH:8][C:6]([CH3:7])=[C:5]([CH3:14])[C:4]=1[OH:3])=[O:11]
1
ClC1=CC=C(S1)C=O.C(CC)OC(NC1=C(C=C(C=C1C)N)C)=O>CO[H].C(#N)[BH3-].[Na+]>C(CC)OC(NC1=C(C=C(C=C1C)NCC=1SC(=CC1)Cl)C)=O
3
NC=1SC=C(N1)CC(=O)O>ClS(Cl)=O.CCO[H]>C(C)OC(CC=1N=C(SC1)N)=O
3
CC1=NC=C(N1C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(C=C)O>O1CCOCC1.[O-2].[O-2].[Mn+4]>CC=1N(C=C(N1)C(C=C)=O)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
3
[CH3:1][C:2]1([CH3:14])[S:6][C@@H:5]2[C@H:7](N)[C:8](=[O:9])[N:4]2[C@H:3]1[C:11]([OH:13])=[O:12].P([O-])([O-])([O-])=O.N=C=N>O>[CH3:1][C:2]1([CH3:14])[S:6][C@@H:5]2[CH2:7][C:8](=[O:9])[N:4]2[C@H:3]1[C:11]([OH:13])=[O:12]
1
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[C:13]([NH:14][NH2:15])=[N:12][N:11]([CH2:16][C:17]3[C:18]([CH3:27])=[N:19][C:20]([C:23]([F:26])([F:25])[F:24])=[CH:21][CH:22]=3)[C:10](=[O:28])[C:9]=2[C:29]2[CH:36]=[CH:35][C:32]([C:33]#[N:34])=[CH:31][CH:30]=2)=[CH:4][CH:3]=1.[C:37]([NH:44][C@H:45]([C:47](O)=[O:48])C)([O:39][C:40]...
1
CC=1C=NN(C1)C1=C(C=NC=C1)N1CCC(CC1)C(=O)O.CO[C@H]1C[C@@H](NC1)C#N>>CO[C@H]1C[C@@H](N(C1)C(=O)C1CCN(CC1)C=1C=NC=CC1N1N=CC(=C1)C)C#N
5
ClC=1C=NC=C(C1COC1OCCCC1)Cl>ClCCl.ClC=1C=C(C(=O)OO)C=CC1>ClC=1C=[N+](C=C(C1COC1OCCCC1)Cl)[O-]
3
C([N:8](CC1C=CC=CC=1)[C@H:9]([CH3:29])[C@@H:10]([OH:28])[CH2:11][N:12]([CH2:18][CH2:19][CH2:20][C:21]1[CH:26]=[CH:25][C:24]([F:27])=[CH:23][CH:22]=1)[CH2:13][C:14]([F:17])([F:16])[F:15])C1C=CC=CC=1.CC(O)=O.CCOCC>CO.[OH-].[OH-].[Pd+2]>[NH2:8][C@H:9]([CH3:29])[C@@H:10]([OH:28])[CH2:11][N:12]([CH2:18][CH2:19][CH2:20][C:21...
1
[CH2:1]([Li])[CH2:2][CH2:3]C.[CH3:6][N:7]1[CH2:12][CH2:11][C:10](=O)[CH2:9][CH2:8]1.[C:14]1([CH3:24])[CH:19]=[CH:18][C:17](S(O)(=O)=O)=[CH:16][CH:15]=1.[CH:25]([O-:27])=O.[NH4+:28]>O1CCCC1.C1(C)C=CC=CC=1.CO.O.[Pd]>[NH2:28][C@@H:16]1[CH2:17][CH2:18][C:19]2[C:14](=[C:24]([CH:10]3[CH2:11][CH2:12][N:7]([CH3:6])[CH2:8][CH2:...
1
BrC1=NC=CC=C1C.OCC1=CC=C(C=C1)B(O)O>>CC=1C(=NC=CC1)C1=CC=C(C=C1)CO
5
[NH2:1][C:2]1[CH:3]=[N:4][N:5]([CH3:7])[CH:6]=1.Cl[C:9]1[N:14]=[C:13]([N:15]2[CH2:20][CH2:19][O:18][CH2:17][CH2:16]2)[N:12]=[C:11]([N:21]2[C:25]3[CH:26]=[CH:27][CH:28]=[CH:29][C:24]=3[N:23]=[C:22]2[CH:30]([F:32])[F:31])[N:10]=1.O>CS(C)=O>[F:32][CH:30]([F:31])[C:22]1[N:21]([C:11]2[N:12]=[C:13]([N:15]3[CH2:16][CH2:17][O:...
1
CN1C2=C(C=3C=CC(=CC13)N1C(C=C(C=C1)CCC1=CC=CC=C1)=O)CN(CC2)C(=O)OC(C)(C)C>C(C)OCC.CO[H].Cl>Cl.Cl.CN1C2=C(C=3C=CC(=CC13)N1C(C=C(C=C1)CCC1=CC=CC=C1)=O)CNCC2
3
[CH3:1][OH:2].F[C:4]1[C:9](F)=[CH:8][C:7]([C:11]([F:14])([F:13])[F:12])=[CH:6][N:5]=1.[O:15]1[CH2:19]CCC1>>[CH3:1][O:2][C:4]1[C:9]([O:15][CH3:19])=[CH:8][C:7]([C:11]([F:14])([F:13])[F:12])=[CH:6][N:5]=1
1
[OH:1][C:2]1[CH:11]=[C:10]([O:12][C:13](=[O:16])[CH2:14][CH3:15])[CH:9]=[C:8]2[C:3]=1[C:4]([CH2:18][CH2:19][CH3:20])=[CH:5][C:6](=[O:17])[O:7]2.C([O-])([O-])=O.[K+].[K+].Cl[C:28]([CH3:32])([CH3:31])[C:29]#[CH:30]>CC(=O)CC.CN(C=O)C.[I-].C([N+](CCCC)(CCCC)CCCC)CCC.[Cl-].[Cl-].[Zn+2]>[CH3:31][C:28]1([CH3:32])[O:1][C:2]2[C...
1
[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:9]=[CH:10][C:11]([C:14](=[O:16])[CH3:15])=[N:12][CH:13]=2)=[CH:4][CH:3]=1.[BH4-].[Na+]>CO.C(OCC)(=O)C>[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:9]=[CH:10][C:11]([CH:14]([OH:16])[CH3:15])=[N:12][CH:13]=2)=[CH:4][CH:3]=1
1
C1COCCN1.O=C1NN=C2C=3C(=CC=CC13)NC(C2C2=CC=CC=C2)C=2C=C(C=O)C=CC2>CO[H].C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>O1CCN(CC1)CC=1C=C(C=CC1)C1C(C2=NNC(C=3C=CC=C(C23)N1)=O)C1=CC=CC=C1
3
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)/C)/C)/C)/C)/C)C>c1ccncc1.P(Br)(Br)Br>CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CBr)/C)/C)/C)/C)/C)/C)/C)/C)C
3
OC1=NC=CC=C1.FC(C1=CC=C(C=C1)C1=C(C=CC=C1)N)(F)F.OC1=C(C(N(C(=C1OC)OC)CC1=CC=C(C=C1)OC)=O)C(=O)OC>C1(=CC=CC=C1)C>OC1=C(C(N(C(=C1OC)OC)CC1=CC=C(C=C1)OC)=O)C(=O)NC1=C(C=CC=C1)C1=CC=C(C=C1)C(F)(F)F
3
[NH2:1][CH2:2][C:3]([NH:5][CH2:6][CH:7]1[CH2:12][CH2:11][N:10]([C:13]([O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:14])[CH2:9][CH2:8]1)=[O:4].[NH2:20][C:21]1[CH:29]=[CH:28][C:27]([Cl:30])=[CH:26][C:22]=1[C:23](O)=[O:24].CCN=C=NCCCN(C)C.C1C=CC2N(O)N=NC=2C=1.[OH-].[Na+]>C(Cl)Cl>[NH2:20][C:21]1[CH:29]=[CH:28][C:27]([Cl:30...
1
C1(=CC=CC=C1)[Mg]Br.O1CCCC1.C(C1=CC=CC=C1)OCN1C=C(C2=C1C=NN(C2=O)COCC[Si](C)(C)C)C=O>>C(C1=CC=CC=C1)OCN1C(=C(C2=C1C=NN(C2=O)COCC[Si](C)(C)C)O)CC2=CC=CC=C2
5
C(C(C)C)C=1C=CC2=C(COCCC2)C1>>C(C(C)C)C1=CC(=C(C=C1)CCCO)C
5
C(C)(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC1CCCC1>[HH].C(C)(=O)OCC.[Pd]>NC1=CC=C(C[C@H](NC(=O)OC(C)(C)C)C(=O)OC2CCCC2)C=C1
3
BrC1=CC(=C(OC(C(=O)OCC)(C)C)C=C1)Cl>O.CO[H].Cl.[OH-].[Li+]>BrC1=CC(=C(OC(C(=O)O)(C)C)C=C1)Cl
3
C1(=CC=C(C=C1)[C@H](C(=O)N1C(OC[C@@H]1C(C)C)=O)CC1CCCC1)C1=CC=CC=C1>O(O[H])[H].O.C1CCCO1.[OH-].[Li+]>C1(=CC=C(C=C1)[C@H](C(=O)O)CC1CCCC1)C1=CC=CC=C1
3
ClC1=NC=CC=N1.OCCOC1=C(C(=NC=N1)NS(=O)(=O)C=CC1=CC=CC=C1)C1=CC=C(C=C1)C>C1CCCO1.[H-].[Na+]>N1=C(N=CC=C1)OCCOC1=C(C(=NC=N1)NS(=O)(=O)C=CC1=CC=CC=C1)C1=CC=C(C=C1)C
3
[CH2:1]([O:3][C:4](=[O:41])[CH2:5][C:6]1[CH:11]=[CH:10][CH:9]=[C:8]([CH2:12][CH2:13][NH:14][CH2:15][C@@H:16]([C:25]2[CH:30]=[CH:29][C:28]([O:31][CH2:32][C:33]3[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=3)=[C:27]([CH2:39][OH:40])[CH:26]=2)[O:17][Si](C(C)(C)C)(C)C)[CH:7]=1)[CH3:2].[F-].[NH4+]>CO.O>[NH3:14].[CH2:32]([O:31][C:2...
1
Br[C:2]1[N:3]=[C:4]2[CH:10]=[CH:9][N:8]([CH2:11][O:12][CH2:13][CH2:14][Si:15]([CH3:18])([CH3:17])[CH3:16])[C:5]2=[N:6][CH:7]=1.C[Sn](C)(C)[Sn](C)(C)C.Br[C:28]1[C:29]([NH:36][C@H:37]2[CH2:42][C@H:41]([CH3:43])[CH2:40][N:39]([C:44]([O:46][CH2:47][C:48]3[CH:53]=[CH:52][CH:51]=[CH:50][CH:49]=3)=[O:45])[CH2:38]2)=[N:30][C:3...
1
[CH3:1][C:2]1[C:14]2[C:13]3[CH:12]=[CH:11][CH:10]=[CH:9][C:8]=3[C:7]([O:15][CH2:16][O:17][CH3:18])=[N:6][C:5]=2[N:4]([CH3:19])[N:3]=1.[Br:20]N1C(=O)CCC1=O>C(Cl)(Cl)(Cl)Cl.C(OOC(=O)C1C=CC=CC=1)(=O)C1C=CC=CC=1>[Br:20][CH2:1][C:2]1[C:14]2[C:13]3[CH:12]=[CH:11][CH:10]=[CH:9][C:8]=3[C:7]([O:15][CH2:16][O:17][CH3:18])=[N:6][...
1
FC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F.Br.Br.CC(CN1CCNCC1)(C)C>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>CC(CN1CCN(CC1)C1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)(C)C
3
CN.O=C1N(C(C2=CC=CC=C12)=O)CCS(=O)(=O)Cl>C1CCCO1>C1(C=2C(C(N1CC)=O)=CC=CC2)=O.CNS(=O)=O
3
Cl[C:2]1[N:7]=[C:6]([C:8]2[N:12]3[CH:13]=[CH:14][C:15]([C:17]([CH3:27])([O:19][Si:20]([CH2:25][CH3:26])([CH2:23][CH3:24])[CH2:21][CH3:22])[CH3:18])=[N:16][C:11]3=[N:10][CH:9]=2)[CH:5]=[CH:4][N:3]=1.[F:28][C:29]1[CH:34]=[C:33]([F:35])[CH:32]=[CH:31][C:30]=1B(O)O>>[F:28][C:29]1[CH:34]=[C:33]([F:35])[CH:32]=[CH:31][C:30]=...
1
O[C@@H](C1C=CC=CC=1)CNC1C=CNC(=O)C=1C1NC2C(C(O)=O)=CC=CC=2N=1.C(N)C1C=CC=CC=1.CCN(C(C)C)C(C)C.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.F[C:72]1[CH:73]=[C:74]([CH:105]=[CH:106][CH:107]=1)[CH2:75][NH:76][C:77]([C:79]1[C:87]2[NH:86][C:85]([C:88]3[C:89](=[O:104])[NH:90][CH:91]=[CH:92][C:93]=3[NH:94][CH2:95][C...
1
N(=[N+]=[N-])C[C@@H]1CN(CCO1)C(=O)OC(C)(C)C>>NC[C@@H]1CN(CCO1)C(=O)OC(C)(C)C
5
C(C1=CC=CC=C1)OC1=C(OC=C(C1=O)C(NCC1=C(C=C(C=C1F)F)F)=O)C(=O)OC.N[C@@H]1CN[C@H](CCC1O)C>>C(C1=CC=CC=C1)OC=1C(C(=CN2C1C(N1[C@H](CC[C@H]([C@H]2C1)O)C)=O)C(=O)NCC1=C(C=C(C=C1F)F)F)=O
5
NC1=NC=C(N=C1)Br>>BrC=1N=CC(=NC1)NC(C)=O
5
[NH2:1][C:2]1[C:3]([N+:12]([O-])=O)=[N:4][CH:5]=[C:6]([CH:11]=1)[C:7]([O:9][CH3:10])=[O:8].[H][H]>CO.[Ni].O>[NH2:1][C:2]1[C:3]([NH2:12])=[N:4][CH:5]=[C:6]([CH:11]=1)[C:7]([O:9][CH3:10])=[O:8]
2
COC1C=CC(C[NH:8][C:9]2[CH:14]=[C:13]([C:15]([F:18])([F:17])[F:16])[CH:12]=[C:11]([C:19]3[CH:24]=[CH:23][CH:22]=[CH:21][C:20]=3[C:25]([F:28])([F:27])[F:26])[N:10]=2)=CC=1>CO.[Pd]>[F:18][C:15]([F:16])([F:17])[C:13]1[CH:12]=[C:11]([C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][C:20]=2[C:25]([F:26])([F:28])[F:27])[N:10]=[C:9]([NH2:...
1
CC1=CNC=2C=CC=C(C12)C#N>>CC1=CNC2=CC=CC(=C12)CN
5
ClC1=C(COC2=CC3=C(C(=C(S3)C(=O)O)OCOC)C=C2)C=CC(=C1)Cl>N(C)(C)C=O.CCN=C=NCCCN(C)C>ClC1=C(COC2=CC3=C(C(=C(S3)C(=O)N)OCOC)C=C2)C=CC(=C1)Cl
3
[F:1][C:2]1[CH:8]=[CH:7][CH:6]=[CH:5][C:3]=1[NH2:4].[H-].[Na+].F[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=1[N+:18]([O-:20])=[O:19]>CN(C=O)C>[F:1][C:2]1[CH:8]=[CH:7][CH:6]=[CH:5][C:3]=1[NH:4][C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=1[N+:18]([O-:20])=[O:19]
1
[CH2:1]([O:3][C:4]([NH:6][C:7]1[CH:8]=[C:9]([CH:27]=[CH:28][CH:29]=1)[CH2:10][N:11]1[C:16](=[O:17])[CH:15]=[CH:14][C:13]([C:18]2[CH:19]=[C:20]([CH:24]=[CH:25][CH:26]=2)[C:21](O)=[O:22])=[N:12]1)=[O:5])[CH3:2].[C:30]([O:34][C:35]([NH:37][CH2:38][CH2:39][CH2:40][CH2:41][NH2:42])=[O:36])([CH3:33])([CH3:32])[CH3:31].CN1CCO...
2
C(=O)(OC(C)(C)C)N1CC(C1)C(=O)O.Cl.N1CCC1>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C(C)(C)(C)OC(=O)N1CC(C1)C(=O)N1CCC1
3
[Cl-].[Al+3].[Cl-].[Cl-].[CH3:5][CH:6]([CH2:11][C:12]([CH3:15])([CH3:14])[CH3:13])[CH2:7][C:8](Cl)=[O:9].[CH:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1>>[CH3:5][CH:6]([CH2:11][C:12]([CH3:15])([CH3:14])[CH3:13])[CH2:7][C:8]([C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1)=[O:9]
1
CC1=NC=2C=CC3=C(C2C(N1)=O)C=C(C=C3)C>BrN1C(CCC1=O)=O.C1=CC=CC=C1>BrCC=1C=CC2=C(C=3C(NC(=NC3C=C2)C)=O)C1
3
COCN(C[Si](C)(C)C)CC1=CC=CC=C1.C=C(C(=O)OC)CC>C1(=CC=CC=C1)C.ClCCl.C(=O)(C(F)(F)F)O>C(C1=CC=CC=C1)N1CC(CC1)(C(=O)OC)CC
3
FC=1C=C(C=CC1C(F)(F)F)CCC(=O)O>C1CCCO1.B.C1CCOC1>FC=1C=C(C=CC1C(F)(F)F)CCCO
3
C(=O)([O-])[O-].[K+].[K+].[N+:7]([C:10]1[CH:11]=[C:12]2[C:16](=[CH:17][CH:18]=1)[NH:15][CH:14]=[CH:13]2)([O-:9])=[O:8].Cl.[CH2:20]([N:22]([CH2:25][CH2:26]Cl)[CH2:23][CH3:24])[CH3:21]>CN(C=O)C.O>[CH2:20]([N:22]([CH2:25][CH3:26])[CH2:23][CH2:24][N:15]1[C:16]2[C:12](=[CH:11][C:10]([N+:7]([O-:9])=[O:8])=[CH:18][CH:17]=2)[C...
2
Cl.[NH2:2][CH:3]1[CH2:7][CH2:6][N:5]([S:8]([C:11]2[C:12]3[C:13]([Br:21])=[CH:14][N:15]=[CH:16][C:17]=3[CH:18]=[CH:19][CH:20]=2)(=[O:10])=[O:9])[CH2:4]1.Cl.N[C@H:24]1[CH2:28]CN(S(C2C3C(Br)=CN=CC=3C=CC=2)(=O)=O)[CH2:25]1>>[CH2:28]([NH:2][CH:3]1[CH2:7][CH2:6][N:5]([S:8]([C:11]2[C:12]3[C:13]([Br:21])=[CH:14][N:15]=[CH:16][...
1
O([K])C#N.C(C)OC=1C=C(C=CC1OC)[C@@H](CCNO)N1CC2=CC=CC(=C2C1=O)NC(C(C)C)=O>O>NC(=O)N(O)CC[C@H](C1=CC(=C(C=C1)OC)OCC)N1CC2=CC=CC(=C2C1=O)NC(C(C)C)=O
3
CNC(=O)Cl.ClC1=CC2=C(C(=N1)CO)C(=NN2C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)OC>>CNC(OCC1=NC(=CC2=C1C(=NN2C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)OC)Cl)=O
5
[K+].C(CC(=O)[O-])(=O)OCC.C1(CCCCC1)C1N(CCC(C1)C(=O)O)C(=O)OC>>C1(CCCCC1)[C@@H]1N(CC[C@H](C1)C(CC(=O)OCC)=O)C(=O)OC
5
[CH2:1]([C:5]1[N:6]=[C:7]([CH2:27][CH2:28][O:29][CH3:30])[NH:8][C:9](=[O:26])[C:10]=1[CH2:11][C:12]1[CH:17]=[CH:16][C:15]([C:18]2[C:19]([C:24]#[N:25])=[CH:20][CH:21]=[CH:22][CH:23]=2)=[CH:14][CH:13]=1)[CH2:2][CH2:3][CH3:4].[O:31]1[C:35]2[CH:36]=[CH:37][C:38](B(O)O)=[CH:39][C:34]=2[CH2:33][CH2:32]1.N1C=CC=CC=1.C(N(CC)CC...
1