Carbon Tetrachloride → 3-Hydroxy-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-1,4-benzodiazepine

HRID 113269Notes

Reaction equation

HRID 113269 reaction equation
[Br:1][N:2]1[C:3](=[O:5])[CH2:6][CH2:7][C:8]1=[O:4].[C:39]([Cl:40])([Cl:41])([Cl:42])[Cl:43].[O:9]=[C:10]1[N:11]([CH2:27][C:28]([F:29])([F:30])[F:31])[c:12]2[c:13]([cH:23][cH:24][cH:25][cH:26]2)[C:14]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)=[N:15][CH2:16]1.[OH:32][C:33]([C:34]([F:35])([F:36])[F:37])=[O:38]>>[OH:4][CH:16]1[C:10](=[O:9])[N:11]([CH2:27][C:28]([F:29])([F:30])[F:31])[c:12]2[c:13]([cH:23][cH:24][cH:25][cH:26]2)[C:14]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)=[N:15]1

Participants

5

Reactant 4

HCID 5943Carbon TetrachlorideHCID 6422Trifluoroacetic acidHCID 67184N-bromobutanimideHCID 111416741-(2,2,2-Trifluoroethyl)-5-phenyl-1H-1,4-benzodiazepine-2(3H)-one

Product 1

HCID 184442523-Hydroxy-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-1,4-benzodiazepine

Sources & evidence

ORD record
ord-2595da0072a740429ad80303cf9c6ccb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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