Dichloromethane → 7-methyl-4-(3-(3-methylisoxazol-5-yl)phenyl)-8-(trifluoromethyl)-1H-benzo[b][1,4]diazepin-2(3H)-one

HRID 813453Notes

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]([CH3:35])[n:33][o:34]3)[cH:27][cH:28][cH:29]2)=[O:36])[cH:10][c:11]([C:15]([F:16])([F:17])[F:18])[c:12]([CH3:14])[cH:13]1)([CH3:6])([CH3:23])[CH3:37].[Cl:45][CH2:46][Cl:47].[F:38][C:39]([F:40])([F:41])[C:42]([OH:43])=[O:44]>>[N:7]1=[C:22]([c:24]2[cH:25][c:26](-[c:30]3[cH:31][c:32]([CH3:35])[n:33][o:34]3)[cH:27][cH:28][cH:29]2)[CH2:21][C:20](=[O:36])[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 86586997(5-Methyl-2-{3-[3-(3-methyl-isoxazol-5-yl)-phenyl]-3-oxo-propionylamino}-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester

Product 1

HCID 185487957-methyl-4-(3-(3-methylisoxazol-5-yl)phenyl)-8-(trifluoromethyl)-1H-benzo[b][1,4]diazepin-2(3H)-one

Sources & evidence

ORD record: ord-caf0676d768b4575931327d9eb60823e
Source dataset: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

Reaction notes

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