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

HRID 1216939Notes

Reaction equation

HRID 1216939 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:23][C:24]([CH2:25][C:26](=[O:5])[c:28]2[cH:29][c:30](-[c:34]3[cH:35][n:36][c:37]([CH:40]4[CH2:41][CH2:42]4)[cH:38][cH:39]3)[cH:31][cH:32][cH:33]2)=[O:43])[cH:10][c:11]([C:19]([F:20])([F:21])[F:22])[c:12]([O:14][CH2:15][CH:16]2[CH2:17][CH2:18]2)[cH:13]1)([CH3:6])([CH3:27])[CH3:44].[Cl:52][CH2:53][Cl:54].[F:45][C:46]([F:47])([F:48])[C:49]([OH:50])=[O:51]>>[N:7]1=[C:26]([c:28]2[cH:29][c:30](-[c:34]3[cH:35][n:36][c:37]([CH:40]4[CH2:41][CH2:42]4)[cH:38][cH:39]3)[cH:31][cH:32][cH:33]2)[CH2:25][C:24](=[O:43])[NH:23][c:9]2[c:8]1[cH:13][c:12]([O:14][CH2:15][CH:16]1[CH2:17][CH2:18]1)[c:11]([C:19]([F:20])([F:21])[F:22])[cH:10]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86589362(5-Cyclopropylmethoxy-2-{3-[3-(6-cyclopropyl-pyridin-3-yl)-phenyl]-3-oxo-propionylamino}-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester

Product 1

HCID 223175937-Cyclopropylmethoxy-4-[3-(6-cyclopropyl-pyridin-3-yl)-phenyl]-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-dd732b369ad74a18b63c415bc3f79ad6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…