Acetic Acid → 4H-1,4-Benzothiazin-3-one
Reaction equation
[C:15]([O:16][C:17]([N:18]1[CH2:19][CH2:20][C:21](=[O:22])[CH2:23][CH2:24]1)=[O:25])([CH3:26])([CH3:27])[CH3:28].[C:33]([O:34][BH-:35]([O:36][C:37](=[O:38])[CH3:39])[O:40][C:41](=[O:42])[CH3:43])(=[O:44])[CH3:45].[C:47](=[O:48])([OH:49])[O-:50].[CH3:29][C:30](=[O:31])[OH:32].[Cl:52][CH:53]([Cl:54])[CH3:55].[NH2:1][c:2]1[c:3]([S:8][CH2:9][C:10]([O:12][CH2:11][CH3:13])=[O:14])[cH:4][cH:5][cH:6][cH:7]1.[Na+:46].[Na+:51]>>[NH:1]1[c:2]2[c:3]([cH:4][cH:5][cH:6][cH:7]2)[S:8][CH2:9][C:10]1=[O:12]Participants
8
Sources & evidence
- ORD record
- ord-cc0ff98b31394b14b68c9693adde81be
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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