Toluene → 1-[4-methyl-1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopentan-2-yl]cyclopent-3-ene-1-carboxamide

HRID 1567456Notes

Reaction equation

HRID 1567456 reaction equation
[CH2:1]([CH:2]=[CH2:37])[C:4]([C:5](=[O:6])[NH2:7])([CH:8]([C:9](=[O:10])[NH:11][CH:12]1[N:13]=[C:14]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:15]2[c:16]([cH:21][cH:22][cH:23][cH:24]2)[N:17]([CH3:20])[C:18]1=[O:19])[CH2:31][CH:32]([CH3:33])[CH3:34])[CH2:35][CH:36]=[CH2:3].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[Cl:45][CH2:46][Cl:47]>>[CH2:1]1[CH:2]=[CH:36][CH2:35][C:4]1([C:5](=[O:6])[NH2:7])[CH:8]([C:9](=[O:10])[NH:11][CH:12]1[N:13]=[C:14]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:15]2[c:16]([cH:21][cH:22][cH:23][cH:24]2)[N:17]([CH3:20])[C:18]1=[O:19])[CH2:31][CH:32]([CH3:33])[CH3:34]

Participants

4

Reactant 3

HCID 1140TolueneHCID 6344DichloromethaneHCID 221352682,2-Diallyl-3-isobutyl-N4-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-succinamide

Product 1

HCID 98048611-[4-methyl-1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopentan-2-yl]cyclopent-3-ene-1-carboxamide

Sources & evidence

ORD record
ord-f45a3a6595a44afe94cb3957c78ed34b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…