Ethanol → 3-Fluoro-1,3-dihydro-1-methyl-7-chloro-5-phenyl-2H-1,4-benzodiazepin-2-one

HRID 147174Notes

Reaction equation

HRID 147174 reaction equation
[Br:1][CH:2]([C:3](=[O:4])[N:5]([CH3:6])[c:7]1[c:8]([C:9](=[O:10])[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[cH:17][c:18]([Cl:21])[cH:19][cH:20]1)[F:22].[Br:40][CH:41]([F:42])[C:43]([Br:44])=[O:45].[CH3:23][NH:24][c:25]1[cH:26][cH:27][c:28]([Cl:29])[cH:30][c:31]1[C:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)=[O:39].[CH3:46][CH2:47][OH:48]>>[CH:2]1([F:22])[C:3](=[O:4])[N:5]([CH3:6])[c:7]2[c:8]([cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[C:9]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)=[N:24]1

Participants

5

Reactant 4

HCID 702EthanolHCID 139252-(Methylamino)-5-chlorobenzophenoneHCID 23332585N-(2-benzoyl-4-chlorophenyl)-2-bromo-2-fluoro-N-methylacetamideHCID 23332663alpha-Bromo-alpha-fluoroacetyl bromide

Product 1

HCID 126021203-Fluoro-1,3-dihydro-1-methyl-7-chloro-5-phenyl-2H-1,4-benzodiazepin-2-one

Sources & evidence

ORD record
ord-84d9449ec885419e9a9cd56f7e32a43a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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