Water → 4-Acryloyl-2-chloro-2,3,4,5-tetrahydro-1,4-benzothiazepine
Reaction equation
[C:1]([CH:2]=[CH2:3])(=[O:4])[N:5]1[CH2:6][CH2:7][S:8][c:9]2[c:10]([cH:12][cH:13][cH:14][cH:15]2)[CH2:11]1.[CH2:22]([Cl:23])[Cl:24].[OH2:21].[S:16]([Cl:17])(=[O:18])([Cl:19])=[O:20]>>[C:1]([CH:2]=[CH2:3])(=[O:4])[N:5]1[CH2:6][CH:7]([Cl:19])[S:8][c:9]2[c:10]([cH:12][cH:13][cH:14][cH:15]2)[CH2:11]1Participants
5
Sources & evidence
- ORD record
- ord-c1db671add9844adb0f9a27f6d3e1715
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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