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

HRID 119349Notes

Reaction equation

HRID 119349 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:24][C:25]([CH2:26][C:27](=[O:5])[c:29]2[cH:30][c:31](-[c:35]3[cH:36][n:37][c:38]([CH:41]4[CH2:42][CH2:43]4)[cH:39][cH:40]3)[cH:32][cH:33][cH:34]2)=[O:44])[cH:10][c:11]([C:20]([F:21])([F:22])[F:23])[c:12]([O:14][CH2:15][C:16]([F:17])([F:18])[F:19])[cH:13]1)([CH3:6])([CH3:28])[CH3:45].[Cl:53][CH2:54][Cl:55].[F:46][C:47]([F:48])([F:49])[C:50]([OH:51])=[O:52]>>[N:7]1=[C:27]([c:29]2[cH:30][c:31](-[c:35]3[cH:36][n:37][c:38]([CH:41]4[CH2:42][CH2:43]4)[cH:39][cH:40]3)[cH:32][cH:33][cH:34]2)[CH2:26][C:25](=[O:44])[NH:24][c:9]2[c:8]1[cH:13][c:12]([O:14][CH2:15][C:16]([F:17])([F:18])[F:19])[c:11]([C:20]([F:21])([F:22])[F:23])[cH:10]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86589333[2-{3-[3-(6-Cyclopropyl-pyridin-3-yl)-phenyl]-3-oxo-propionylamino}-5-(2,2,2-trifluoro-ethoxy)-4-trifluoromethyl-phenyl]-carbamic acid tert-butyl ester

Product 1

HCID 223179124-[3-(6-Cyclopropyl-pyridin-3-yl)-phenyl]-7-(2,2,2-trifluoro-ethoxy)-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-e0d720756f134058971314fb6e8f542d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…