Hydrochloric Acid → 2-[(1,1-Dioxo-1,2-benzoisothiazol-3-yl)thio]-3-(4-benzyloxyphenyl)propionic acid
Reaction equation
[CH3:37][OH:38].[ClH:35].[K+:34].[O:1]=[S:2]1(=[O:32])[N:3]=[C:4]([S:11][CH:12]([C:13](=[O:14])[O:15][CH3:16])[CH2:17][c:18]2[cH:19][cH:20][c:21]([O:24][CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[cH:22][cH:23]2)[c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2.[OH-:33].[OH2:36].[OH2:39]>>[O:1]=[S:2]1(=[O:32])[N:3]=[C:4]([S:11][CH:12]([C:13](=[O:14])[OH:15])[CH2:17][c:18]2[cH:19][cH:20][c:21]([O:24][CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[cH:22][cH:23]2)[c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2Participants
7
Sources & evidence
- ORD record
- ord-f3e35f0a089c47289aa9a2ff59693225
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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