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

HRID 2134578Notes

Reaction equation

HRID 2134578 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:16][C:17]([CH2:18][C:19](=[O:5])[c:20]2[cH:21][c:22](-[c:26]3[n:27][cH:28][cH:29][cH:30][cH:31]3)[cH:23][cH:24][cH:25]2)=[O:33])[cH:10][c:11]([Cl:15])[c:12]([F:14])[cH:13]1)([CH3:6])([CH3:32])[CH3:34].[Cl:42][CH2:43][Cl:44].[F:35][C:36]([F:37])([F:38])[C:39]([OH:40])=[O:41]>>[N:7]1=[C:19]([c:20]2[cH:21][c:22](-[c:26]3[n:27][cH:28][cH:29][cH:30][cH:31]3)[cH:23][cH:24][cH:25]2)[CH2:18][C:17](=[O:33])[NH:16][c:9]2[c:8]1[cH:13][c:12]([F:14])[c:11]([Cl:15])[cH:10]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86589262{4-Chloro-5-fluoro-2-[3-oxo-3-(3-pyridin-2-yl-phenyl)-propionylamino]-phenyl}-carbamic acid tert-butyl ester

Product 1

HCID 223178948-Chloro-7-fluoro-4-(3-pyridin-2-yl-phenyl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-a56ad8aa58ab4c9296ae653ed3c231eb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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