Dichloromethane → 4-[3-(3-Methyl-isoxazol-5-yl)-phenyl]-7-thiomorpholin-4-yl-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

HRID 116899Notes

Reaction equation

HRID 116899 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][c:37]([CH3:40])[n:38][o:39]3)[cH:32][cH:33][cH:34]2)=[O:41])[cH:10][c:11]([C:20]([F:21])([F:22])[F:23])[c:12]([N:14]2[CH2:15][CH2:16][S:17][CH2:18][CH2:19]2)[cH:13]1)([CH3:6])([CH3:28])[CH3:42].[Cl:50][CH2:51][Cl:52].[F:43][C:44]([F:45])([F:46])[C:47]([OH:48])=[O:49]>>[N:7]1=[C:27]([c:29]2[cH:30][c:31](-[c:35]3[cH:36][c:37]([CH3:40])[n:38][o:39]3)[cH:32][cH:33][cH:34]2)[CH2:26][C:25](=[O:41])[NH:24][c:9]2[c:8]1[cH:13][c:12]([N:14]1[CH2:15][CH2:16][S:17][CH2:18][CH2:19]1)[c:11]([C:20]([F:21])([F:22])[F:23])[cH:10]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86586979(2-{3-[3-(3-Methyl-isoxazol-5-yl)-phenyl]-3-oxo-propionylamino}-5-thiomorpholin-4-yl-4-trifluoromethyl-phenyl)-carbamic acid tert.-butyl ester

Product 1

HCID 185487334-[3-(3-Methyl-isoxazol-5-yl)-phenyl]-7-thiomorpholin-4-yl-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-b7a9ebbfefbf4cf9a79e687d0282961c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…