Water → 2-Fluorodibenzo[B,F][1,4]thiazepin-11(10H)-one
Reaction equation
[NH2:1][c:2]1[c:3]([S:8][c:9]2[c:10]([C:11](=[O:12])[OH:13])[cH:14][c:15]([F:18])[cH:16][cH:17]2)[cH:4][cH:5][cH:6][cH:7]1.[OH2:19].[c:20]1([CH3:21])[cH:22][cH:23][c:24]([S:25]([OH:26])(=[O:27])=[O:28])[cH:29][cH:30]1.[c:31]1([CH3:32])[c:33]([CH3:34])[cH:35][cH:36][cH:37][cH:38]1>>[NH:1]1[c:2]2[c:3]([cH:4][cH:5][cH:6][cH:7]2)[S:8][c:9]2[c:10]([cH:14][c:15]([F:18])[cH:16][cH:17]2)[C:11]1=[O:12]Participants
5
Sources & evidence
- ORD record
- ord-73516891012c4fa0a7d760ac55e80b42
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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