Acetic Acid → 2-[[3-(4-Chlorophenyl)-1,2-benzisoxazol-6-yl]sulfinyl]-2-methylpropionic acid
Reaction equation
[CH3:26][C:27](=[O:28])[OH:29].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][o:10][c:11]3[c:12]2[cH:13][cH:14][c:15]([S:17][C:18]([C:19](=[O:20])[OH:21])([CH3:22])[CH3:23])[cH:16]3)[cH:6][cH:7]1.[ClH:30].[OH:24][OH:25]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][o:10][c:11]3[c:12]2[cH:13][cH:14][c:15]([S:17]([C:18]([C:19](=[O:20])[OH:21])([CH3:22])[CH3:23])=[O:24])[cH:16]3)[cH:6][cH:7]1Participants
5
Sources & evidence
- ORD record
- ord-64320e2f92324ee19a725ea3526df61d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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