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

HRID 312620Notes

Reaction equation

HRID 312620 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:23]2[cH:24][c:25](-[c:29]3[cH:30][c:31]([C:35]([F:36])([F:37])[F:38])[n:32][cH:33][cH:34]3)[cH:26][cH:27][cH:28]2)=[O:40])[cH:10][c:11]([C:15]([F:16])([F:17])[F:18])[c:12]([CH3:14])[cH:13]1)([CH3:6])([CH3:39])[CH3:41].[Cl:49][CH2:50][Cl:51].[F:42][C:43]([F:44])([F:45])[C:46]([OH:47])=[O:48]>>[N:7]1=[C:22]([c:23]2[cH:24][c:25](-[c:29]3[cH:30][c:31]([C:35]([F:36])([F:37])[F:38])[n:32][cH:33][cH:34]3)[cH:26][cH:27][cH:28]2)[CH2:21][C:20](=[O:40])[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

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86589427(5-Methyl-2-{3-oxo-3-[3-(2-trifluoromethyl-pyridin-4-yl)-phenyl]-propionylamino}-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester

Product 1

HCID 223173697-Methyl-8-trifluoromethyl-4-[3-(2-trifluoromethyl-pyridin-4-yl)-phenyl]-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-76b3f3eff30a4edf83218d68efdd4f13
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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