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

HRID 667267Notes

Reaction equation

HRID 667267 reaction equation
[CH2:46]1[N:47]2[CH2:48][N:49]3[CH2:50][N:51]([CH2:52]2)[CH2:53][N:54]1[CH2:55]3.[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].[CH3:56][CH2:57][OH:58].[Cl: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].[Cl:40][CH:41]([F:42])[C:43]([Cl:44])=[O:45]>>[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

6

Reactant 5

HCID 702EthanolHCID 4101HexamethylenetetramineHCID 139252-(Methylamino)-5-chlorobenzophenoneHCID 30138612-Chloro-2-fluoroacetyl chlorideHCID 23332642N-(2-benzoyl-4-chlorophenyl)-2-chloro-2-fluoro-N-methylacetamide

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-e58abdbe4d594d78b0bd6f023df81571
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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