Ethanol → 5-(2-chlorophenyl)-1,3-dihydro-8-ethoxy-7-fluoro-2H-1,4-benzodiazepin-2-thione
Reaction equation
[CH3:22][CH2:23][OH:24].[CH3:27][CH2:28][O:29][C:30](=[O:31])[CH3:32].[Cl:1][c:2]1[c:3]([C:8]2=[N:9][CH2:10][C:11](=[S:21])[NH:12][c:13]3[c:14]2[cH:15][c:16]([F:20])[c:17]([F:19])[cH:18]3)[cH:4][cH:5][cH:6][cH:7]1.[H-:25].[Na+:26]>>[Cl:1][c:2]1[c:3]([C:8]2=[N:9][CH2:10][C:11](=[S:21])[NH:12][c:13]3[c:14]2[cH:15][c:16]([F:20])[c:17]([O:24][CH2:23][CH3:22])[cH:18]3)[cH:4][cH:5][cH:6][cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-b4d29286b8d64b978934fb8776d1131f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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