Dichloromethane → 8-Chloro-4-[3-(2,6-dimethyl-pyridin-4-yl)-phenyl]-7-trifluoromethyl-1,3-dihydro benzo[b][1,4]diazepin-2-one

HRID 144810Notes

Reaction equation

HRID 144810 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:19][C:20]([CH2:21][C:22](=[O:5])[c:24]2[cH:25][c:26](-[c:30]3[cH:31][c:32]([CH3:37])[n:33][c:34]([CH3:36])[cH:35]3)[cH:27][cH:28][cH:29]2)=[O:38])[cH:10][c:11]([Cl:18])[c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]1)([CH3:6])([CH3:23])[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:22]([c:24]2[cH:25][c:26](-[c:30]3[cH:31][c:32]([CH3:37])[n:33][c:34]([CH3:36])[cH:35]3)[cH:27][cH:28][cH:29]2)[CH2:21][C:20](=[O:38])[NH:19][c:9]2[c:8]1[cH:13][c:12]([C:14]([F:15])([F:16])[F:17])[c:11]([Cl:18])[cH:10]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86589306(4-Chloro-2-{3-[3-(2,6-dimethyl-pyridin-4-yl)-phenyl]-3-oxo-propionylamino}-5-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester

Product 1

HCID 223175798-Chloro-4-[3-(2,6-dimethyl-pyridin-4-yl)-phenyl]-7-trifluoromethyl-1,3-dihydro benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-9be4ca635ca140368b005668de24ff16
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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