O-Xylene → (2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
Reaction equation
[NH2:1][c:2]1[c:3]([S:8][CH:9]([CH:10]([C:11](=[O:12])[NH2:13])[OH:14])[c:15]2[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]2)[cH:4][cH:5][cH:6][cH:7]1.[c:23]1([CH3:24])[c:25]([CH3:26])[cH:27][cH:28][cH:29][cH:30]1>>[c:2]12[c:3]([cH:4][cH:5][cH:6][cH:7]1)[S:8][CH:9]([c:15]1[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]1)[CH:10]([OH:14])[C:11](=[O:12])[NH:13]2Participants
3
Sources & evidence
- ORD record
- ord-e80a8ea064e34547a0e8cdfab83935b8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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