Dichloromethane → 8-Chloro-4-(3-pyridin-3-yl-phenyl)-7-(2,2,2-trifluoro-ethoxy)-1,3-dihydro-benzo[b][1,4]diazepin-2-one

HRID 1220623Notes

Reaction equation

HRID 1220623 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:25]2[cH:26][c:27](-[c:31]3[cH:32][n:33][cH:34][cH:35][cH:36]3)[cH:28][cH:29][cH:30]2)=[O:38])[cH:10][c:11]([Cl:20])[c:12]([O:14][CH2:15][C:16]([F:17])([F:18])[F:19])[cH:13]1)([CH3:6])([CH3:37])[CH3:39].[Cl:47][CH2:48][Cl:49].[F:40][C:41]([F:42])([F:43])[C:44]([OH:45])=[O:46]>>[N:7]1=[C:24]([c:25]2[cH:26][c:27](-[c:31]3[cH:32][n:33][cH:34][cH:35][cH:36]3)[cH:28][cH:29][cH:30]2)[CH2:23][C:22](=[O:38])[NH:21][c:9]2[c:8]1[cH:13][c:12]([O:14][CH2:15][C:16]([F:17])([F:18])[F:19])[c:11]([Cl:20])[cH:10]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86589366[4-Chloro-2-[3-oxo-3-(3-pyridin-3-yl-phenyl)-propionylamino]-5-(2,2,2-trifluoro-ethoxy)-phenyl]-carbamic acid tert-butyl ester

Product 1

HCID 223177008-Chloro-4-(3-pyridin-3-yl-phenyl)-7-(2,2,2-trifluoro-ethoxy)-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-2f85ecf930a9499a9c62479722fe2f61
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…