Dichloromethane → 4-[3-(5-Dimethylaminomethyl-[1,2,3]triazol-1-yl)-phenyl]-7-morpholin-4-yl-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

HRID 951064Notes

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](-[n:35]3[n:36][n:37][cH:38][c:39]3[CH2:40][N:41]([CH3:42])[CH3:43])[cH:32][cH:33][cH:34]2)=[O:44])[cH:10][c:11]([C:20]([F:21])([F:22])[F:23])[c:12]([N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[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](-[n:35]3[n:36][n:37][cH:38][c:39]3[CH2:40][N:41]([CH3:42])[CH3:43])[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]([N:14]1[CH2:15][CH2:16][O:17][CH2:18][CH2:19]1)[c:11]([C:20]([F:21])([F:22])[F:23])[cH:10]2

Participants

Reactant 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 86586978(2-{3-[3-(5-Dimethylaminomethyl-[1,2,3]triazol-1-yl)-phenyl]-3-oxo-propionylamino}-5-morpholin-4-yl-4-trifluoromethyl-phenyl)-carbamic acid tert.-butyl ester

Product 1

HCID 185488104-[3-(5-Dimethylaminomethyl-[1,2,3]triazol-1-yl)-phenyl]-7-morpholin-4-yl-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record: ord-55c923d098504537a5b1fd669a02977b
Source dataset: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

Reaction notes

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