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

HRID 158215Notes

Reaction equation

HRID 158215 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:20][C:21]([CH2:22][C:23](=[O:5])[c:25]2[cH:26][c:27](-[c:31]3[cH:32][n:33][c:34]([CH:37]4[CH2:38][CH2:39]4)[cH:35][cH:36]3)[cH:28][cH:29][cH:30]2)=[O:40])[cH:10][c:11]([C:16]([F:17])([F:18])[F:19])[c:12]([CH2:14][CH3:15])[cH:13]1)([CH3:6])([CH3:24])[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:23]([c:25]2[cH:26][c:27](-[c:31]3[cH:32][n:33][c:34]([CH:37]4[CH2:38][CH2:39]4)[cH:35][cH:36]3)[cH:28][cH:29][cH:30]2)[CH2:22][C:21](=[O:40])[NH:20][c:9]2[c:8]1[cH:13][c:12]([CH2:14][CH3:15])[c:11]([C:16]([F:17])([F:18])[F:19])[cH:10]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86589389(2-{3-[3-(6-Cyclopropyl-pyridin-3-yl)-phenyl]-3-oxo-propionylamino}-5-ethyl-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester

Product 1

HCID 223176884-[3-(6-Cyclopropyl-pyridin-3-yl)-phenyl]-7-ethyl-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-1ec27d52ba234b1ebacf5cf7d4ad6aff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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