Dichloromethane → 8-(2,3-Difluoro-phenyl)-7-dimethylamino-4-(3-[1,2,3]triazol-1-yl-phenyl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one

HRID 87965Notes

Reaction equation

HRID 87965 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[cH:9][c:10]([N:39]([CH3:40])[CH3:41])[c:11](-[c:31]2[c:32]([F:38])[c:33]([F:37])[cH:34][cH:35][cH:36]2)[cH:12][c:13]1[NH:14][C:15]([CH2:16][C:17](=[O:5])[c:18]1[cH:19][c:20](-[n:24]2[n:25][n:26][cH:27][cH:28]2)[cH:21][cH:22][cH:23]1)=[O:30])([CH3:6])([CH3:29])[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:17]([c:18]2[cH:19][c:20](-[n:24]3[n:25][n:26][cH:27][cH:28]3)[cH:21][cH:22][cH:23]2)[CH2:16][C:15](=[O:30])[NH:14][c:13]2[c:8]1[cH:9][c:10]([N:39]([CH3:40])[CH3:41])[c:11](-[c:31]1[c:32]([F:38])[c:33]([F:37])[cH:34][cH:35][cH:36]1)[cH:12]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86586805{2-Dimethylamino-2',3'-difluoro-5-[3-oxo-3-(3-[1,2,3]triazol-1-yl-phenyl)-propionylamino]-biphenyl-4-yl}-carbamic acid tert.-butyl ester

Product 1

HCID 186134848-(2,3-Difluoro-phenyl)-7-dimethylamino-4-(3-[1,2,3]triazol-1-yl-phenyl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-7e1ae1440a374d3aadc54fd2a02c3b68
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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