Dichloromethane → 4-(3-(6-methoxypyridin-3-yl)phenyl)-7-methyl-8-(trifluoromethyl)-1H-benzo[b][1,4]diazepin-2(3H)-one

HRID 935445Notes

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][n:32][c:33]([O:36][CH3:37])[cH:34][cH:35]3)[cH:27][cH:28][cH:29]2)=[O:38])[cH:10][c:11]([C:15]([F:16])([F:17])[F:18])[c:12]([CH3:14])[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][n:32][c:33]([O:36][CH3:37])[cH:34][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]([CH3:14])[c:11]([C:15]([F:16])([F:17])[F:18])[cH:10]2

Participants

Reactant 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 86589335(2-{3-[3-(6-Methoxy-pyridin-3-yl)-phenyl]-3-oxo-propionylamino}-5-methyl-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester

Product 1

HCID 223177444-(3-(6-methoxypyridin-3-yl)phenyl)-7-methyl-8-(trifluoromethyl)-1H-benzo[b][1,4]diazepin-2(3H)-one

Sources & evidence

ORD record: ord-7843fe528fd54aaba1e14976984c8245
Source dataset: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

Reaction notes

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