Dichloromethane → 7-Dimethylamino-4-[3-(2-methyl-pyridin-4-yl)-phenyl]-8-trifluoromethyl-1,3-dihydro benzo[b][1,4]diazepin-2-one

HRID 91983Notes

Reaction equation

HRID 91983 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:21][C:22]([CH2:23][C:24](=[O:5])[c:26]2[cH:27][c:28](-[c:32]3[cH:33][c:34]([CH3:38])[n:35][cH:36][cH:37]3)[cH:29][cH:30][cH:31]2)=[O:39])[cH:10][c:11]([C:17]([F:18])([F:19])[F:20])[c:12]([N:14]([CH3:15])[CH3:16])[cH:13]1)([CH3:6])([CH3:25])[CH3:40].[Cl:48][CH2:49][Cl:50].[F:41][C:42]([F:43])([F:44])[C:45]([OH:46])=[O:47]>>[N:7]1=[C:24]([c:26]2[cH:27][c:28](-[c:32]3[cH:33][c:34]([CH3:38])[n:35][cH:36][cH:37]3)[cH:29][cH:30][cH:31]2)[CH2:23][C:22](=[O:39])[NH:21][c:9]2[c:8]1[cH:13][c:12]([N:14]([CH3:15])[CH3:16])[c:11]([C:17]([F:18])([F:19])[F:20])[cH:10]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86589278(5-Dimethylamino-2-{3-[3-(2-methyl-pyridin-4-yl)-phenyl]-3-oxo-propionylamino}-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester

Product 1

HCID 98677677-Dimethylamino-4-[3-(2-methyl-pyridin-4-yl)-phenyl]-8-trifluoromethyl-1,3-dihydro benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-3f6c739f351343cca0afbac82f4c1b8e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…