Datasets:
Derify
/
ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
Cl.CNOC.C(C1=CC=CC=C1)O[C@H](CC(=O)O)C>N(C)(C)C=O.CCN(CC)CC.Cl.C(C)N=C=NCCCN(C)C.OC1=CC=CC=2NN=NC21>C(C1=CC=CC=C1)O[C@H](CC(=O)N(C)OC)C
3
FC1=CC(=C(C(=C1)C)C(O)C=1OC=CC1)C>O.CC(=O)C.P(O)(O)(O)=O>FC1=CC(=C(C(=C1)C)C1C(C=CC1=O)O)C
3
C(C)(C)(C)C1=CC(=NN1)N.CC1=CC=C(OC2=CC=C(C=C2)N=C=O)C=C1>>C(C)(C)(C)C1=NNC(=C1)NC(=O)NC1=CC=C(C=C1)OC1=CC=C(C=C1)C
5
[CH3:1][C:2]1[C:6]([C:7]2[CH:8]=[C:9]([C:19]([C:21]3[CH:26]=[CH:25][CH:24]=[CH:23][N:22]=3)=[O:20])[C:10]3[N:14]=[C:13]([O:15]CC)[NH:12][C:11]=3[CH:18]=2)=[C:5]([CH3:27])[O:4][N:3]=1.[F:28][C:29]([F:35])([F:34])[CH2:30][CH2:31][Mg]Br>C1COCC1>[CH3:1][C:2]1[C:6]([C:7]2[CH:8]=[C:9]([C:19]([OH:20])([C:21]3[CH:26]=[CH:25][C...
1
NC1=CC=C(C=N1)C1=CC=C(C=C1)N1C(CCC1)=O.BrC=1C=C(C(=NC1)OC)N(S(=O)(=O)C)C>O1CCOCC1.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd].C(=O)([O-])[O-].[Cs+].[Cs+].CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C3CCCCC3)C4CCCCC4)OC)OC)C(C)C>COC1=NC=C(C=C1N(S(=O)...
3
Br.NCCC1=CC=C(C=2NC(SC21)=O)O.FC1=CC=C(C=C1)CCOCCCS(=O)(=O)CC(=O)O>N(C)(C)C=O.C(C)OCC.CCN(CC)CC.Cl.C(=O)(C=1NC=CN1)C=1NC=CN1>OC1=CC=C(C2=C1NC(S2)=O)CCNC(CS(=O)(=O)CCCOCCC2=CC=C(C=C2)F)=O
3
C1(CC1)C1=C(C(=CC=C1)OCOC)C1=C(C=C2C(=NC(=NC2=C1)OC[C@]12CCCN2C[C@@H](C1)F)N1[C@@H](CN(CC1)C(=O)OC(C)(C)C)C)F>CC#N.ClCCl.Cl>C1(CC1)C=1C(=C(C=CC1)O)C1=C(C=C2C(=NC(=NC2=C1)OC[C@]12CCCN2C[C@@H](C1)F)N1[C@@H](CNCC1)C)F
3
CC(C(=O)OCC)(C(=O)OCC)C1=CC=C(C=C1)[N+](=O)[O-]>C1CCCO1.ClCCl.Cl.[H-].[Al+3].[Li+].[H-].[H-].[H-]>CC(CO)(CO)C1=CC=C(C=C1)[N+](=O)[O-]
3
[CH2:1]([O:3][C:4](=[O:24])[C:5]([O:8][C:9]1[CH:14]=[CH:13][C:12]([CH2:15][NH:16][C:17]([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:18])=[CH:11][CH:10]=1)([CH3:7])[CH3:6])[CH3:2].[H-].[Na+].[CH3:27]I.Cl>CN(C=O)C>[CH2:1]([O:3][C:4](=[O:24])[C:5]([O:8][C:9]1[CH:14]=[CH:13][C:12]([CH2:15][N:16]([C:17]([O:19][C:20]([CH3:2...
1
BrC=1C(=C(C=CC1)C1=NC(=C(C=O)C=C1)OC)Cl.NC[C@@H]1CCC(N1)=O>ClCCl.Cl.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].C(C)(=O)[O-].[Na+]>BrC=1C(=C(C=CC1)C1=CC=C(C(=N1)OC)CNC[C@@H]1CCC(N1)=O)Cl
3
CN1CCNCC1.ClCCCOC=1C=C2C(=NC(=NC2=CC1)C=1C=NC=CC1)NC>CO[H]>Cl.Cl.Cl.Cl.CNC1=NC(=NC2=CC=C(C=C12)OCCCN1CCN(CC1)C)C=1C=NC=CC1
3
Cl.Cl.NN.C(C)OCC(C(C#N)C1=CC=C(C=C1)C)=O>>C(C)OCC1=NNC(=C1C1=CC=C(C=C1)C)N
5
NCCN1CCOCC1.FC1=NC=CC(=N1)N(C1=NC(=NC=C1)C1=CC=CC=C1)C>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>CN(C1=NC(=NC=C1)NCCN1CCOCC1)C1=NC(=NC=C1)C1=CC=CC=C1
3
C[O:2][C:3](=O)[C:4]1[CH:9]=[CH:8][C:7]([CH:10]([N:14]2[CH:18]=[CH:17][N:16]=[CH:15]2)[CH2:11][CH2:12][CH3:13])=[CH:6][CH:5]=1.[H-].[Al+3].[Li+].[H-].[H-].[H-].[OH-].[Na+]>O1CCCC1>[N:14]1([CH:10]([C:7]2[CH:6]=[CH:5][C:4]([CH2:3][OH:2])=[CH:9][CH:8]=2)[CH2:11][CH2:12][CH3:13])[CH:18]=[CH:17][N:16]=[CH:15]1
1
[Cl:1][C:2]1[CH:3]=[C:4]([CH2:8][C:9]([OH:11])=O)[CH:5]=[CH:6][CH:7]=1.Cl.CN(C)CCCN=C=NCC.N1(O)C2C=CC=CC=2N=N1.[CH2:34]([N:38]1[C:46]2[N:45]=[C:44]([Cl:47])[NH:43][C:42]=2[C:41](=[O:48])[N:40]([CH2:49][CH2:50][CH2:51]/[C:52](=[N:55]/[H])/[NH:53]O)[C:39]1=[O:57])[CH2:35][CH2:36][CH3:37]>CN1CCCC1=O>[CH2:34]([N:38]1[C:46]...
1
C1(CCCCC1)N.C(CC(C)C)O.C(C1=CC=CC=C1)N1CCN(CC1)C1=NC=C(C(=N1)CCl)C(=O)OCC>>C(C1=CC=CC=C1)N1CCN(CC1)C=1N=CC2=C(N1)CN(C2=O)C2CCCCC2
3
C(=O)N1CCOCC1.BrC1=C(C2=C(OCCCO2)C(=C1)OC)F>>FC1=C(C=C(C=2OCCCOC21)OC)C=O
5
FC1=CC=C(C=C1)O.BrC=1C=C(C=C(C1OC1=C(C=C(C(=C1)C(C)C)OC)C(C1=CC(=CC=C1)C)O)Br)CC(=O)O>>BrC=1C=C(C=C(C1OC1=C(C=C(C(=C1)C(C)C)OC)C(C1=CC(=CC=C1)C)OC1=CC=C(C=C1)F)Br)CC(=O)O
5
BrC1=CC(=C(CBr)C=C1)F.CN1C(NC2=C1C=C(C=C2)C2=C(C#N)C=CC=C2)=O>>BrC1=CC(=C(CN2C(N(C3=C2C=CC(=C3)C3=C(C#N)C=CC=C3)C)=O)C=C1)F
5
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8]Br)=[C:4]([S:10]([CH3:13])(=[O:12])=[O:11])[CH:3]=1.[CH3:14][NH2:15].CO>>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][NH:15][CH3:14])=[C:4]([S:10]([CH3:13])(=[O:12])=[O:11])[CH:3]=1
1
[CH:1]([C:4]1[CH:9]=[CH:8][C:7]([C:10]2[S:11][CH:12]=[C:13]([C:15]3[CH:16]=[C:17]([CH:22]=[CH:23][CH:24]=3)[C:18]([O:20]C)=[O:19])[N:14]=2)=[CH:6][CH:5]=1)([CH3:3])[CH3:2].[Li+].[OH-]>CO.O>[CH:1]([C:4]1[CH:5]=[CH:6][C:7]([C:10]2[S:11][CH:12]=[C:13]([C:15]3[CH:16]=[C:17]([CH:22]=[CH:23][CH:24]=3)[C:18]([OH:20])=[O:19])[...
2
[F:1][C:2]1([F:29])[CH2:7][CH2:6][N:5]([C:8]([C:10]2[NH:11][C:12]3[C:17]([CH:18]=2)=[CH:16][C:15]([O:19][CH:20]2[CH2:25][CH2:24][N:23]([CH:26]([CH3:28])[CH3:27])[CH2:22][CH2:21]2)=[CH:14][CH:13]=3)=[O:9])[CH2:4][CH2:3]1.I[C:31]1[S:32][CH:33]=[CH:34][CH:35]=1>>[F:29][C:2]1([F:1])[CH2:7][CH2:6][N:5]([C:8]([C:10]2[N:11]([...
1
C(C1=CC=CC=C1)C=1N=C(SC1C1=CC=C(C2=CC=CC=C12)S(NC(C)(C)C)(=O)=O)C(=O)OCC>>C(C1=CC=CC=C1)C=1N=C(SC1C1=CC=C(C2=CC=CC=C12)S(NC(C)(C)C)(=O)=O)C(=O)[O-].[K+]
5
O1C(OCCC1)CC[Mg]Br.O=C1CC2CCC(C1)N2C2=CC=C(C1=CC=CC=C21)C#N>>O1C(OCCC1)CCC1(CC2CCC(C1)N2C2=CC=C(C1=CC=CC=C21)C#N)O
5
BrC1=C(C=CC=C1)[N+](=O)[O-].ClC1=CC=C(C=C1)B(O)O>N(C)(C)C=O.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.[Br-].C(CCC)[N+](CCCC)(CCCC)CCCC.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>ClC1=CC=C(C=C1)C1=C(C=CC=C1)[N+](=O)[O-]
3
[NH2:1][C:2]1[N:10]=[CH:9][CH:8]=[CH:7][C:3]=1[C:4]([OH:6])=O.ON1C2C=CC=CC=2N=N1.CCN=C=NCCCN(C)C.[CH2:32]([C:35]1[CH:49]=[CH:48][C:38]([O:39][C:40]2[CH:47]=[CH:46][C:43]([CH2:44][NH2:45])=[CH:42][CH:41]=2)=[CH:37][CH:36]=1)[CH2:33][CH3:34].C(=O)(O)[O-].[Na+]>CN(C=O)C>[CH2:32]([C:35]1[CH:49]=[CH:48][C:38]([O:39][C:40]2[...
2
FC=1C=C(C2=C(OCCO2)C1)C=1CCCN1>O.CO[H].[Na+].[BH4-].Cl>FC=1C=C(C2=C(OCCO2)C1)C1NCCC1
3
COC(C(CC(=O)OC(C)(C)C)CC(C)C)=O>CC(=O)C.[Br-].[Li+]>C(C)(C)(C)OC(CC(C(=O)O)CC(C)C)=O
3
[F:1][C:2]([F:23])([F:22])[C@@H:3]1[CH2:8][CH2:7][C@H:6]([O:9][C:10]2[CH:11]=[C:12]3[C:17](=[CH:18][CH:19]=2)[CH:16]=[C:15]([CH:20]=O)[CH:14]=[CH:13]3)[CH2:5][CH2:4]1.Cl.[CH3:25][O:26][C:27]([CH:29]1[CH2:36][CH:35]2[NH:37][CH:31]([CH2:32][CH2:33][CH2:34]2)[CH2:30]1)=[O:28].C(O)(=O)C.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]...
2
Cl.COC([C@@H](N)C)=O.C1CCC(CC1)N=C=NC2CCCCC2.C(=O)O>C1(=CC=NC=C1)N(C)C.ClCCl.C1(CCCCC1)N=C=NC1CCCCC1.C(=O)O.CN1CCOCC1>COC([C@@H](NC=O)C)=O
3
BrC1=C(C=C(C(=O)O)C=C1)OC>>BrC1=C(C=C(C=C1)C(=O)C1=CC=CC=C1)OC
5
C([O:3][C:4](=[O:26])/[CH:5]=[CH:6]/[C:7]([N:9]1[C:14]2[CH:15]=[CH:16][C:17]([Cl:19])=[CH:18][C:13]=2[O:12][CH:11]([C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)[CH2:10]1)=[O:8])C.[OH-].[Na+].Cl>C(O)(C)(C)C>[Cl:19][C:17]1[CH:16]=[CH:15][C:14]2[N:9]([C:7](=[O:8])/[CH:6]=[CH:5]/[C:4]([OH:26])=[O:3])[CH2:10][CH:11]([C:20...
2
FC=1C(NC(N(C1)[C@@H]1O[C@@]([C@H]([C@@H]1F)OC1OCCCC1)(CO)CCO)=O)=O>CC#N.CO[H].C1(=CC=C(C=C1)S(=O)(=O)O)C>FC=1C(NC(N(C1)[C@@H]1O[C@@]([C@H]([C@@H]1F)O)(CO)CCO)=O)=O
3
C([S:3][C:4]1[CH:5]=[C:6]2[C:11](=[C:12]([F:14])[CH:13]=1)[N:10]=[CH:9][C:8]([C:15]([O:17][CH2:18][CH3:19])=[O:16])=[C:7]2[OH:20])#N.SC[C@H]([C@@H](CS)O)O>CN(C=O)C>[F:14][C:12]1[CH:13]=[C:4]([SH:3])[CH:5]=[C:6]2[C:11]=1[N:10]=[CH:9][C:8]([C:15]([O:17][CH2:18][CH3:19])=[O:16])=[C:7]2[OH:20]
1
[CH3:1][O-:2].[Na+].[CH3:4][O:5][C:6](=[O:16])[C:7]1[CH:12]=[CH:11][C:10]([Br:13])=[C:9]([CH2:14]Br)[CH:8]=1>CO.CN(C=O)C.[Cl-].[Na+].O>[CH3:4][O:5][C:6](=[O:16])[C:7]1[CH:12]=[CH:11][C:10]([Br:13])=[C:9]([CH2:14][O:2][CH3:1])[CH:8]=1
2
C(C)(C)(C)OC(=O)N(C=1C=C2C(=NC1)N(C(=C2)I)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.C(C)(C)OBC1OC(C(O1)(C)C)(C)C>C1CCCO1.C(C)(C)[N-]C(C)C.[Li+]>C(C)(C)(C)OC(=O)N(C=1C=C2C(=NC1)N(C(=C2)B2OC(C(O2)(C)C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
3
FC(S(=O)(=O)OC)(F)F.COC(C1=C(C=C(C=C1)N(C)C)F)=O>ClCCl.ClCCCl>FC(S(=O)(=O)[O-])(F)F.FC=1C=C(C=CC1C(=O)OC)[N+](C)(C)C
3
[F:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][C:9]=1F)[CH:5]=[O:6].[F:11][C:12]1[CH:13]=[C:14]([OH:22])[CH:15]=[C:16]([C:18]([F:21])([F:20])[F:19])[CH:17]=1>>[F:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][C:9]=1[O:22][C:14]1[CH:15]=[C:16]([C:18]([F:19])([F:20])[F:21])[CH:17]=[C:12]([F:11])[CH:13]=1)[CH:5]=[O:6]
1
[CH3:1][N:2]([CH2:4][CH:5]1[CH2:14][CH2:13][C:12]2[CH:11]=[C:10]([NH:15][C:16]([C:18]3[CH:23]=[CH:22][C:21]([C:24]4[CH:29]=[CH:28][C:27]([NH:30]C(=O)C(F)(F)F)=[CH:26][CH:25]=4)=[CH:20][CH:19]=3)=[O:17])[CH:9]=[CH:8][C:7]=2[CH2:6]1)[CH3:3].CO.[OH-].[Na+]>O1CCCC1>[NH2:30][C:27]1[CH:26]=[CH:25][C:24]([C:21]2[CH:20]=[CH:19...
1
BrC=1C=CC(=NC1)Cl.FC(C1=CC=C(CN2CC(C2)O)C=C1)(F)F>C1CCCO1.[H-].[Na+]>BrC=1C=CC(=NC1)OC1CN(C1)CC1=CC=C(C=C1)C(F)(F)F
3
C(C)(C)(C)OC(=O)N1CC2C(C1)O2>CO[H].[N-]=[N+]=[N-].[Na+].[Cl-].[NH4+]>C(C)(C)(C)OC(=O)N1C[C@@H]([C@H](C1)O)N=[N+]=[N-]
3
[Cl:1][C:2]1[N:3]=[C:4]([C:24]2[CH:29]=[CH:28][CH:27]=[CH:26][N:25]=2)[NH:5][C:6]=1/[C:7](/[C:15]1[CH:20]=[CH:19][C:18](SC)=[C:17]([Cl:23])[CH:16]=1)=[CH:8]/[CH:9]1[CH2:14][CH2:13][O:12][CH2:11][CH2:10]1.O1CCC[CH2:31]1.O[O:36][S:37]([O-:39])=O.[K+].C(=O)([O-])O.[Na+]>O.CO>[Cl:1][C:2]1[N:3]=[C:4]([C:24]2[CH:29]=[CH:28][...
1
C(#N)C(CCC(=O)OCC)C1=C(C(=CC=C1)F)F>>FC1=C(C=CC=C1F)C1CCC(NC1)=O
5
[CH:1]([O:4][C:5](=[O:24])[C:6]1[CH:11]=[CH:10][C:9]([C:12]([F:15])([F:14])[F:13])=[CH:8][C:7]=1[B:16]1[O:23]CCNCC[O:17]1)([CH3:3])C.[C:25]1(C)C=CC=CC=1.O.Cl>O1CCCC1>[CH3:25][CH2:3][CH2:1][O:4][C:5]([C:6]1[CH:11]=[CH:10][C:9]([C:12]([F:13])([F:14])[F:15])=[CH:8][C:7]=1[B:16]([OH:17])[OH:23])=[O:24]
2
C1(=C(C=CC=C1)P(=O)(Cl)Cl)C>c3c(P(c1ccccc1)c2ccccc2)cccc3>ClP(C1=C(C=CC=C1)C)Cl
3
[F:1][C:2]1([F:21])[CH2:5][CH:4]([C:6]2[CH:11]=[C:10]([F:12])[CH:9]=[CH:8][C:7]=2[O:13]CC2C=CC=CC=2)[CH2:3]1>C(O)C.[Pd]>[F:21][C:2]1([F:1])[CH2:5][CH:4]([C:6]2[CH:11]=[C:10]([F:12])[CH:9]=[CH:8][C:7]=2[OH:13])[CH2:3]1
1
[F:1][C:2]([F:12])([F:11])[C:3]1[N:4]=[C:5]([C:8](O)=[O:9])[S:6][CH:7]=1.C1N=C[N:15](C(N2C=NC=C2)=O)C=1.[NH4+].[OH-]>C1COCC1>[F:1][C:2]([F:12])([F:11])[C:3]1[N:4]=[C:5]([C:8]([NH2:15])=[O:9])[S:6][CH:7]=1
1
[F:1][C:2]([F:18])([F:17])[C:3]([C:5]1[C:13]2[C:8](=[CH:9][C:10]([N+:14]([O-:16])=[O:15])=[CH:11][CH:12]=2)[NH:7][CH:6]=1)=[O:4].[C:19]([Mg]Br)#[CH:20].[Cl-].[NH4+]>O1CCCC1>[CH2:5]([N:7]1[C:8]2[C:13](=[CH:12][CH:11]=[C:10]([N+:14]([O-:16])=[O:15])[CH:9]=2)[C:5]([C:3]([OH:4])([C:19]#[CH:20])[C:2]([F:1])([F:17])[F:18])=[...
2
COC=1C=C(C=CC1OC)C=1N=C2N(C=CC=N2)C1C1=CC(=NC=C1)C>>COC=1C=C(C=CC1OC)C1=C(N=C(N1)N)C1=CC(=NC=C1)C
5
CC1=CC=C(O1)C=1N=C(C2=C(N1)SC=C2)N>C1CCCO1.BrN1C(CCC1=O)=O.C(C)(=O)OCC>BrC1=CC2=C(N=C(N=C2N)C=2OC(=CC2)C)S1
3
OCC(C)(C)NC(C1=CC=CC=C1)=O>ClS(Cl)=O>Cl.C1(=CC=CC=C1)C=1OCC(N1)(C)C
3
[Cl:1][C:2]1[CH:10]=[CH:9][C:8]2[NH:7][C:6]3[CH2:11][CH2:12][N:13]([CH3:16])[CH2:14][CH2:15][C:5]=3[C:4]=2[CH:3]=1.N1CCC[C@H]1C(O)=O.[O-]P([O-])([O-])=O.[K+].[K+].[K+].Br[CH2:34][CH2:35][C:36]1[CH:41]=[CH:40][CH:39]=[CH:38][C:37]=1[F:42]>CN(C=O)C.[Cu](I)I.O>[F:42][C:37]1[CH:38]=[CH:39][CH:40]=[CH:41][C:36]=1[CH2:35][CH...
1
CC=1SC(=CN1)C(=O)O.FC1(CN(CC1)C1=NC=CC(=C1N)C1=C(C=CC=C1)F)F>C1CCCO1.C(C)(C)N(C(C)C)CC.[I-].ClC1=[N+](C=CC=C1)C>FC1(CN(CC1)C1=NC=CC(=C1NC(=O)C1=CN=C(S1)C)C1=C(C=CC=C1)F)F
3
C1(=CC=CC=C1)C(CC)O.ClC1=C(C=CC(=C1)Cl)C=1N2C(OC1C)=C(C(=N2)C)O>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.CCN(CC)CC.N(=NC(=O)OCC)C(=O)OCC>ClC1=C(C=CC(=C1)Cl)C=1N2C(OC1C)=C(C(=N2)C)OC(CC)C2=CC=CC=C2
3
C(C)OC(CC(=O)C1=CC(=C(C=C1)Cl)Cl)=O.C(C)N1N=CC=C1C=1C=NNC1N>>ClC=1C=C(C=CC1Cl)C=1NC=2N(C(C1)=O)N=CC2C2=CC=NN2CC
5
C(C)OC1=CC=CC2=CC(=CC=C12)OCC>CCO[H].[Na].C(C)O.O>C1(CCCC2=CC=CC=C12)=O
3
CC1=CC=C(C=C1)S(=O)(=O)OCC1=C(C=C(C=C1)Cl)Br>CC#N.[C-]#N.[K+]>BrC1=C(C=CC(=C1)Cl)CC#N
3
FC(C1=NN(C=C1C(=O)Cl)C)F.CON=CC1=CC(=C(C(=C1)Cl)OC[C@H]1NCCC1)Cl>ClCCl.CCN(CC)CC>CON=CC1=CC(=C(C(=C1)Cl)OC[C@H]1N(CCC1)C(=O)C=1C(=NN(C1)C)C(F)F)Cl
3
[C:1]([C:4]1[CH:8]=[C:7]([C:9]([OH:11])=O)[NH:6][N:5]=1)(=[O:3])[CH3:2].CN(C(ON1N=NC2C=CC(=CC1=2)Cl)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CN(C=O)C.CCN(C(C)C)C(C)C.C([O:53][C:54](=[O:75])[C@H:55]([OH:74])[CH2:56][N:57]([CH2:59][C:60]1[CH:65]=[CH:64][C:63]([C:66]2[CH:71]=[C:70]([Cl:72])[CH:69]=[CH:68][C:67]=2[F:73])=[CH:62][CH:...
1
[Cl:1][C:2]1[CH:23]=[CH:22][C:5]2[C:6](=[CH:14][C:15]3[CH:16]=[C:17]([NH2:21])[CH:18]=[CH:19][CH:20]=3)[C:7]3[CH:8]=[CH:9][S:10][C:11]=3[CH2:12][CH2:13][C:4]=2[CH:3]=1.[Li]CCCC.[Cl:29]C(Cl)(Cl)C(Cl)(Cl)Cl>C1COCC1>[Cl:29][C:9]1[S:10][C:11]2[CH2:12][CH2:13][C:4]3[CH:3]=[C:2]([Cl:1])[CH:23]=[CH:22][C:5]=3[C:6](=[CH:14][C:...
1
BrC=1N=CNC1.COC(C1=CC(=C(C=C1)F)OC)=O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>BrC=1N=CN(C1)C1=C(C=C(C(=O)O)C=C1)OC
3
OC1=C(C(=O)OCC)C=C(C=C1)C#CC1=CC=C(C=C1)S(=O)(=O)NC1=NOC(=C1)C>O.CCO[H].[OH-].[K+].C(=O)O>OC1=C(C(=O)O)C=C(C=C1)C#CC1=CC=C(C=C1)S(=O)(=O)NC1=NOC(=C1)C
3
C(C)(C)(C)C=1C=C2C(C(=O)OC2=O)=CC1.NC1=C(C(=O)NC2=CC=C3C=NN(C3=C2)C(=O)OC(C)(C)C)C=CC=C1>C1CCCO1>N1N=CC2=CC=C(C=C12)NC(C1=C(C=CC=C1)N1C(C2=CC=C(C=C2C1=O)C(C)(C)C)=O)=O
3
OCC=1NC(=CN1)C(=O)NCC(C)C>ClCCl.[O-2].[Mn+2]>C(=O)C=1NC(=CN1)C(=O)NCC(C)C
3
COC(=O)C1=C(N=C(S1)C1=CC=CC=C1)COC>>CON(C(=O)C1=C(N=C(S1)C1=CC=CC=C1)COC)C
5
ClC1=CC(=C(N=N1)OC1=C(C=CC=C1C)C1CC1)O>>ClC1=CC(=C(N=N1)OC1=C(C=CC=C1C)C1CC1)[O-].C(CCC)[N+](CCCC)(CCCC)CCCC
5
C(OC([N:8]1[CH2:12][C@@H:11]([C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][C:14]=2[F:19])[C@H:10]([NH:20][C:21]([O:23][CH2:24][CH:25]2[C:37]3[CH:36]=[CH:35][CH:34]=[CH:33][C:32]=3[C:31]3[C:26]2=[CH:27][CH:28]=[CH:29][CH:30]=3)=[O:22])[CH2:9]1)=O)(C)(C)C.[ClH:38].CCOCC>O1CCOCC1>[ClH:38].[CH:27]1[C:26]2[CH:25]([CH2:24][O:23][C:2...
2
CC(C)NCC1=C(C=CC=C1F)[N+](=O)[O-]>O.Cl.[OH-].[Na+].O.O.[Sn](Cl)(Cl)(Cl)Cl>CC(C)NCC1=C(C=CC=C1F)N
3
CS(O[CH2:6][C:7]([O:9][C:10]1[CH:15]=[C:14]([F:16])[CH:13]=[CH:12][C:11]=1[N+:17]([O-])=O)=[O:8])(=O)=O>[Fe].C(O)(=O)C>[F:16][C:14]1[CH:13]=[CH:12][C:11]2[NH:17][CH2:6][C:7](=[O:8])[O:9][C:10]=2[CH:15]=1
1
C(C)(C)(C)OC(=O)N1C=CC2=C1N=CN=C2N2CCN(C1(CC1)C2)S(NCCOC2OCCCC2)(=O)=O>C(=O)(C(F)(F)F)O>OCCNS(=O)(=O)N1C2(CC2)CN(CC1)C=1C2=C(N=CN1)NC=C2
3
[CH3:1][C:2]1([CH3:20])[CH2:7][O:6][B:5]([C:8]2[CH:13]=[CH:12][C:11]([CH2:14][CH2:15][CH2:16][C:17](O)=O)=[CH:10][CH:9]=2)[O:4][CH2:3]1.BrC1C=CC(CCCC[C:32]([OH:34])=[O:33])=CC=1.CC1(C)COB(B2OCC(C)(C)CO2)OC1>>[CH3:1][C:2]1([CH3:20])[CH2:7][O:6][B:5]([C:8]2[CH:13]=[CH:12][C:11]([CH2:14][CH2:15][CH2:16][CH2:17][C:32]([OH:...
1
[C:1]([NH:8][CH2:9][C:10]([OH:12])=O)([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])=[O:2].[CH3:13][O:14][C:15](=[O:21])[C@@H:16]1[CH2:20][CH2:19][CH2:18][NH:17]1.Cl.O.ON1C2C=CC=CC=2N=N1.CN1CCOCC1>CN(C=O)C.O>[CH3:13][O:14][C:15](=[O:21])[C@@H:16]1[CH2:20][CH2:19][CH2:18][N:17]1[C:10](=[O:12])[CH2:9][NH:8][C:1]([O:3][C:4]([CH3:5]...
1
[H-].[Na+].C(O[C:6](=O)[CH2:7][NH:8][C:9]([O:11]CC)=[O:10])C.C(O[C:18](=[O:22])[CH:19]=[CH:20][CH3:21])C.C(O)(=O)C.[CH:27]([NH2:29])=[NH:28].[O-]CC.[Na+].[C:34]1([CH3:40])[CH:39]=CC=C[CH:35]=1>C(O)C>[C:34]([O:11][C:9]([N:8]1[CH:20]([CH3:21])[C:19]2[C:18](=[O:22])[NH:29][CH:27]=[N:28][C:6]=2[CH2:7]1)=[O:10])([CH3:35])([...
1
O[C@@H]1CC[C@H](CC1)N1C=C(C2=C1N=C(N=C2)N[C@@H](C)CC(F)(F)F)C2=CC=C(C=C2)CN2CCN(CC2)C(=O)OC(C)(C)C>Cl.O1CCOCC1>Cl.N1(CCNCC1)CC1=CC=C(C=C1)C1=CN(C=2N=C(N=CC21)N[C@@H](C)CC(F)(F)F)[C@@H]2CC[C@H](CC2)O
3
Cl.[O:2]=[C:3]1[C:8]([C:9]([O:11][CH3:12])=[O:10])=[CH:7][CH:6]=[CH:5][NH:4]1.[H-].[Na+].Cl[CH2:16][C:17]1[CH:26]=[CH:25][C:24]2[C:19](=[CH:20][CH:21]=[CH:22][CH:23]=2)[N:18]=1>CN(C=O)C>[N:18]1[C:19]2[C:24](=[CH:23][CH:22]=[CH:21][CH:20]=2)[CH:25]=[CH:26][C:17]=1[CH2:16][N:4]1[CH:5]=[CH:6][CH:7]=[C:8]([C:9]([O:11][CH3:...
2
[Br:1][C:2]1[CH:7]=[CH:6][C:5](/[CH:8]=[CH:9]/[C:10]([C:12]2[S:13][CH:14]=[CH:15][CH:16]=2)=O)=[CH:4][CH:3]=1.C1(C=CC(C2C=CC=CC=2)=O)C=CC=CC=1.[C:33]([CH2:35][C:36]([NH2:38])=[S:37])#[N:34]>>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:9]=[C:10]([C:12]3[S:13][CH:14]=[CH:15][CH:16]=3)[NH:38][C:36](=[S:37])[C:35]=2[C:33]#[N:...
2
BrC1=CC=C(C=C1)SC.CC(C(C)=O)(C)O>C1CCCO1.[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.C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=CC=C1.CC(C)(C)[O-].[Na+]>OC(C(CC1=CC=C(C=C1)SC)=O)(C)C
3
COC(C1=CC=C(C=C1)O)=O.Cl.CN(C)CCCCl>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>COC(C1=CC=C(C=C1)OCCCN(C)C)=O
3
C(C)OC(CCC(=O)C1=C(C(=CC(=C1)CC1=C(C=C(C=C1Cl)Cl)Cl)C#N)O)=O>O.C1CCCO1>C(#N)C=1C(=C(C=C(C1)CC1=C(C=C(C=C1Cl)Cl)Cl)C(CCC(=O)O)=O)O
3
FC(C=1C=2N(C=CC1)C(=CN2)C2=NC(=NC=C2C#N)N[C@@H](C)C2=CC=C(C=C2)[N+](=O)[O-])F>>NC1=CC=C(C=C1)[C@H](C)NC1=NC=C(C(=N1)C1=CN=C2N1C=CC=C2C(F)F)C#N
5
ClCC(=O)N1CCC(CC1)C(=O)NC(C)(C)C>N(C)(C)C=O.[OH-].[Na+].P(=O)(Cl)(Cl)Cl>ClCC(=O)N1CCC(CC1)C#N
3
CC1(C(=O)OC(C1)=O)C.NC=1C(=NN(C1C)C)N1CCN(CC1)C(=O)OC(C)(C)C>C1(=CC=CC=C1)C.CCN(CC)CC>CC1(C(N(C(C1)=O)C=1C(=NN(C1C)C)N1CCN(CC1)C(=O)OC(C)(C)C)=O)C
3
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:28]=[C:29]([O:33][CH3:34])[C:30]=1[O:31][CH3:32])[CH2:6][N:7]1[CH2:11][CH2:10][C:9]([CH2:19][C:20]2[CH:25]=[CH:24][CH:23]=[C:22]([F:26])[CH:21]=2)([CH2:12][CH2:13]OS(C)(=O)=O)[C:8]1=[O:27].[CH2:35]([O:37][CH2:38][CH2:39][N:40]1[C:44]2[CH:45]=[CH:46][CH:47]=[CH:48][C:43]=2[N:42]=[C:41]...
1
C1COCCN1.BrC=1C=C(C2=C(N(C(=N2)C(C)C)CC2=CC=CC3=CC=CC=C23)C1)[N+](=O)[O-]>>CC(C)C1=NC2=C(N1CC1=CC=CC3=CC=CC=C13)C=C(C=C2[N+](=O)[O-])N2CCOCC2
5
C(=O)(OC(C)(C)C)N1CCNCC1.BrC=1C=CC(=C(C#N)C1)[N+](=O)[O-]>C1CCCO1.C([O-])([O-])=O.[K+].[K+]>C(#N)C=1C=C(C=CC1[N+](=O)[O-])N1CCN(CC1)C(=O)OC(C)(C)C
3
[CH:1]1([C:4]([NH:6][C:7]2[CH:8]=[CH:9][CH:10]=[C:11]3[C:15]=2[C:14](=[O:16])[N:13]([CH:17]([C:22]2[CH:27]=[CH:26][C:25]([O:28][CH:29]([F:31])[F:30])=[C:24]([O:32][CH2:33][CH3:34])[CH:23]=2)[CH2:18][C:19](O)=[O:20])[CH2:12]3)=[O:5])[CH2:3][CH2:2]1.C1N=C[N:37](C(N2C=NC=C2)=O)C=1.[NH4+].[OH-]>C1COCC1>[C:19]([CH2:18][CH:1...
1
[OH-].[Na+].[CH:3]1([N:7]2[CH2:12][CH2:11][CH:10]([O:13][C:14]3[CH:19]=[CH:18][C:17]([C:20]4([C:26]([O:28]CC)=[O:27])[CH2:25][CH2:24][O:23][CH2:22][CH2:21]4)=[CH:16][CH:15]=3)[CH2:9][CH2:8]2)[CH2:6][CH2:5][CH2:4]1.Cl>O1CCOCC1.O>[CH:3]1([N:7]2[CH2:12][CH2:11][CH:10]([O:13][C:14]3[CH:19]=[CH:18][C:17]([C:20]4([C:26]([OH:...
1
Br[C:2]1[C:3]([NH2:18])=[N:4][C:5]([N:13]2[CH:17]=[CH:16][CH:15]=[N:14]2)=[N:6][C:7]=1[N:8]1[CH:12]=[CH:11][CH:10]=[N:9]1.[F-].[Cs+].C([Sn](CCCC)(CCCC)[C:26]1[S:27][CH:28]=[CH:29][N:30]=1)CCC>>[N:13]1([C:5]2[N:4]=[C:3]([NH2:18])[C:2]([C:26]3[S:27][CH:28]=[CH:29][N:30]=3)=[C:7]([N:8]3[CH:12]=[CH:11][CH:10]=[N:9]3)[N:6]=...
1
ClC1=C(C=CC=C1)I.CP(OCC)OCC>Cl>ClC1=C(C=CC=C1)P(O)(=O)C
3
[CH2:1]([NH:8][C@H:9]1[CH2:14][CH2:13][C@H:12]([C:15]([O:24][Si:25]([CH2:30][CH3:31])([CH2:28][CH3:29])[CH2:26][CH3:27])([C:20]([F:23])([F:22])[F:21])[C:16]([F:19])([F:18])[F:17])[CH2:11][CH2:10]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.CCN(C(C)C)C(C)C.[CH:41]1([C:44](Cl)=O)[CH2:43][CH2:42]1.[NH4+].[Cl-]>C(Cl)Cl.C1COC...
1
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([C:11]#[C:12][C:13]2[C:21]3[C:20]([NH2:22])=[N:19][CH:18]=[N:17][C:16]=3[N:15](COCC[Si](C)(C)C)[CH:14]=2)[CH:6]=[C:7]([O:9][CH3:10])[CH:8]=1.C(O)(C(F)(F)F)=O>C(Cl)Cl>[CH3:1][O:2][C:3]1[CH:4]=[C:5]([C:11]#[C:12][C:13]2[C:21]3[C:20]([NH2:22])=[N:19][CH:18]=[N:17][C:16]=3[NH:15][CH:14]=2)[CH...
1
ClCCOCC(=O)Cl.ClC1=CC=C(C=N1)C(C)(C)N>N(C)(C)C=O.C(C)(C)N(C(C)C)CC>ClCCOCC(=O)NC(C)(C)C=1C=NC(=CC1)Cl
3
C(=O)(OC(C)(C)C)N[C@@H](CC1=CC=C(C=C1)OCC=C)C(=O)O>C1CCCO1.C(C)(C)N(C(C)C)CC.ClC(=O)OCC>C(C)(C)(C)OC(N[C@H](C(=O)N)CC1=CC=C(C=C1)OCC=C)=O
3
C(C1=CC=CC=C1)N=C=O.Br.[N+](=O)([O-])C1=CC=C(C=C1)C[C@H](N)C=1N=C(SC1)C=1SC=CC1>ClCCl.CCN(CC)CC>C(C1=CC=CC=C1)NC(=O)N[C@@H](CC1=CC=C(C=C1)[N+](=O)[O-])C=1N=C(SC1)C=1SC=CC1
3
C(C)C1=CC(=NC(=N1)NC1=CC=C(C=C1)F)O>>ClC1=NC(=NC(=C1)CC)NC1=CC=C(C=C1)F
5
C[O:2][C:3]1[CH:12]=[C:11]2[C:6]([CH2:7][CH:8]([NH:13][CH2:14][CH2:15][CH3:16])[CH2:9][O:10]2)=[CH:5][CH:4]=1.B(Br)(Br)[Br:18].CO>ClCCl>[BrH:18].[CH2:14]([NH:13][CH:8]1[CH2:7][C:6]2[C:11](=[CH:12][C:3]([OH:2])=[CH:4][CH:5]=2)[O:10][CH2:9]1)[CH2:15][CH3:16]
1
ClC1=NC=NC(=N1)Cl.CS(=O)(=O)C1=C(C=C(N)C=C1)OC>N(C)(C)C=O.C(C)(=O)OCC.C(C)(C)N(C(C)C)CC.C(O)([O-])=O.[Na+]>ClC1=NC(=NC=N1)NC1=CC(=C(C=C1)S(=O)(=O)C)OC
3
NC=1C=CC(=C(C#N)C1)C.CSC1=NC(=CC(=N1)O)CCC>CCO[H]>ClC1=NC(=NC(=C1)CCC)NC=1C=CC(=C(C#N)C1)C
3
CCCCCC.S(Cl)([Cl:10])(=O)=O.C(O)(=O)C.[F:16][C:17]([F:43])([F:42])[C:18]1[CH:23]=[CH:22][C:21]([C:24]([F:27])([F:26])[F:25])=[CH:20][C:19]=1[NH:28][C:29]1[N:34]([CH2:35][CH3:36])[C:33](=[O:37])[CH:32]=[C:31]([C:38]([F:41])([F:40])[F:39])[N:30]=1>CCOCC>[F:43][C:17]([F:42])([F:16])[C:18]1[CH:23]=[CH:22][C:21]([C:24]([F:2...
1
[F:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][C:10]=1[C:11]([F:14])([F:13])[F:12])[C:5](Cl)=[O:6].[NH2:15][C:16]([CH3:32])([CH2:19][N:20]1[CH:28]=[C:27]2[C:22]([C:23]([Cl:31])=[C:24]([Cl:30])[CH:25]=[C:26]2[Cl:29])=[N:21]1)[C:17]#[N:18]>C1COCC1>[C:17]([C:16]([NH:15][C:5](=[O:6])[C:4]1[CH:8]=[CH:9][C:10]([C:11]([F:14])([F:13])[...
1