Dichloromethane → Chloromethyl [4-({[2-[(tert-butoxycarbonyl)amino]-5-(2-thienyl)phenyl]amino}carbonyl)benzyl]carbamate

HRID 110879

Reaction equation

HRID 110879 reaction equation
[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Cl:40][CH2:41][O:42][C:43](=[O:44])[Cl:45].[Cl:46][CH2:47][Cl:48].[NH2:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[NH:9][c:10]2[c:11]([NH:21][C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[cH:12][cH:13][c:14](-[c:16]3[s:17][cH:18][cH:19][cH:20]3)[cH:15]2)[cH:29][cH:30]1>>[NH:1]([CH2:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[NH:9][c:10]2[c:11]([NH:21][C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[cH:12][cH:13][c:14](-[c:16]3[s:17][cH:18][cH:19][cH:20]3)[cH:15]2)[cH:29][cH:30]1)[C:43]([O:42][CH2:41][Cl:40])=[O:44]

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 62754Chloromethyl chloroformateHCID 81531DiisopropylethylamineHCID 57925930Tert-butyl [2-{[4-(aminomethyl)benzoyl]amino}-4-(2-thienyl)phenyl]carbamate

Product 1

HCID 57925931Chloromethyl [4-({[2-[(tert-butoxycarbonyl)amino]-5-(2-thienyl)phenyl]amino}carbonyl)benzyl]carbamate

Sources & evidence

ORD record
ord-f979fb5ff981460fbde2c3d5ae7c968b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

Loading…