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

HRID 824478Notes

Reaction equation

[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:24][C:25]([CH2:26][C:27](=[O:5])[c:29]2[cH:30][c:31](-[c:35]3[cH:36][n:37][c:38]([CH3:42])[cH:39][c:40]3[CH3:41])[cH:32][cH:33][cH:34]2)=[O:43])[cH:10][c:11]([C:20]([F:21])([F:22])[F:23])[c:12]([O:14][CH2:15][C:16]([F:17])([F:18])[F:19])[cH:13]1)([CH3:6])([CH3:28])[CH3:44].[Cl:52][CH2:53][Cl:54].[F:45][C:46]([F:47])([F:48])[C:49]([OH:50])=[O:51]>>[N:7]1=[C:27]([c:29]2[cH:30][c:31](-[c:35]3[cH:36][n:37][c:38]([CH3:42])[cH:39][c:40]3[CH3:41])[cH:32][cH:33][cH:34]2)[CH2:26][C:25](=[O:43])[NH:24][c:9]2[c:8]1[cH:13][c:12]([O:14][CH2:15][C:16]([F:17])([F:18])[F:19])[c:11]([C:20]([F:21])([F:22])[F:23])[cH:10]2

Participants

Reactant 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 86589417[2-{3-[3-(4,6-Dimethyl-pyridin-3-yl)-phenyl]-3-oxo-propionylamino}-5-(2,2,2-trifluoro-ethoxy)-4-trifluoromethyl-phenyl]-carbamic acid tert-butyl ester

Product 1

HCID 223178094-[3-(4,6-Dimethyl-pyridin-3-yl)-phenyl]-7-(2,2,2-trifluoro-ethoxy)-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record: ord-5329ebbb723f48e9901c279d86dd744a
Source dataset: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

Reaction notes

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