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

HRID 804007Notes

Reaction equation

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

Participants

Reactant 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 86589304(2-{3-[3-(2,6-Dimethyl-pyridin-4-yl)-phenyl]-3-oxo-propionylamino}-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester

Product 1

HCID 112812814-[3-(2,6-Dimethyl-pyridin-4-yl)-phenyl]-8-trifluoromethyl-1,3-dihydro benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record: ord-175de1e5caf2442b935df494448d9626
Source dataset: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

Reaction notes

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