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

HRID 2329386Notes

Reaction equation

HRID 2329386 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:15][C:16]([CH2:17][C:18](=[O:5])[c:20]2[cH:21][c:22](-[c:26]3[cH:27][c:28]([CH3:33])[n:29][c:30]([CH3:32])[cH:31]3)[cH:23][cH:24][cH:25]2)=[O:34])[cH:10][c:11]([Cl:14])[cH:12][cH:13]1)([CH3:6])([CH3:19])[CH3:35].[Cl:43][CH2:44][Cl:45].[F:36][C:37]([F:38])([F:39])[C:40]([OH:41])=[O:42]>>[N:7]1=[C:18]([c:20]2[cH:21][c:22](-[c:26]3[cH:27][c:28]([CH3:33])[n:29][c:30]([CH3:32])[cH:31]3)[cH:23][cH:24][cH:25]2)[CH2:17][C:16](=[O:34])[NH:15][c:9]2[c:8]1[cH:13][cH:12][c:11]([Cl:14])[cH:10]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86589303(4-Chloro-2-{3-[3-(2,6-dimethyl-pyridin-4-yl)-phenyl]-3-oxo-propionylamino}-phenyl)-carbamic acid tert-butyl ester

Product 1

HCID 223178788-Chloro-4-[3-(2,6-dimethyl-pyridin-4-yl)-phenyl]-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-3894420ae13f4ee68bd2c5551bc2f8b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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