Ethanol → 3-Fluoro-1,3-dihydro-1-methyl-7-chloro-5-phenyl-2H-1,4-benzodiazepin-2-one
Reaction equation
[CH3:54][CH2:55][OH:56].[Cl:28][CH:29]([F:30])[C:31]([N:32]([c:33]1[cH:34][cH:35][c:36]([Cl:37])[cH:38][c:39]1[C:40]([c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)=[O:47])[CH3:48])=[O:49].[N-:50]=[N+:51]=[N-:52].[N:4](=[N+:6]=[N-:15])[CH:7]([C:8](=[O:9])[N:10]([CH3:11])[c:12]1[c:13]([C:14](=[O:5])[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:22][c:23]([Cl:26])[cH:24][cH:25]1)[F:27].[NH2:2][NH2:3].[Na+:53].[OH2:1]>>[N:4]1=[C:14]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:13]2[c:12]([cH:25][cH:24][c:23]([Cl:26])[cH:22]2)[N:10]([CH3:11])[C:8](=[O:9])[CH:7]1[F:27]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-83491a2f40ca46138d49bf80c5ba5c86
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
Loading…