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

HRID 182243Notes

Reaction equation

HRID 182243 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:21][C:22]([CH2:23][C:24](=[O:5])[c:26]2[cH:27][c:28](-[c:32]3[c:33]([CH3:39])[n:34][c:35]([CH3:38])[cH:36][cH:37]3)[cH:29][cH:30][cH:31]2)=[O:40])[cH:10][c:11]([C:17]([F:18])([F:19])[F:20])[c:12]([N:14]([CH3:15])[CH3:16])[cH:13]1)([CH3:6])([CH3:25])[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:24]([c:26]2[cH:27][c:28](-[c:32]3[c:33]([CH3:39])[n:34][c:35]([CH3:38])[cH:36][cH:37]3)[cH:29][cH:30][cH:31]2)[CH2:23][C:22](=[O:40])[NH:21][c:9]2[c:8]1[cH:13][c:12]([N:14]([CH3:15])[CH3:16])[c:11]([C:17]([F:18])([F:19])[F:20])[cH:10]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86589259(5-Dimethylamino-2-{3-[3-(2,6-dimethyl-pyridin-3-yl)-phenyl]-3-oxo-propionylamino}-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester

Product 1

HCID 223178867-Dimethylamino-4-[3-(2,6-dimethyl-pyridin-3-yl)-phenyl]-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-a42cf440697048efb640a2359e673a2b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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