Isopropanol → Isethionic Acid
Reaction equation
[CH3:1][O:2][c:3]1[c:4](-[c:11]2[cH:12][c:13]([C:35](=[O:36])[NH:37][C:38]3([C:48](=[O:49])[OH:50])[CH:39]4[CH2:40][CH:41]5[CH2:42][CH:43]([CH2:44][CH:45]3[CH2:46]5)[CH2:47]4)[n:14][n:15]2-[c:16]2[c:17]([CH:32]([CH3:33])[CH3:34])[cH:18][c:19]([C:22]([N:23]([CH2:24][CH2:25][CH2:26][N:27]([CH3:28])[CH3:29])[CH3:30])=[O:31])[cH:20][cH:21]2)[c:5]([O:9][CH3:10])[cH:6][cH:7][cH:8]1.[CH3:58][CH:59]([OH:60])[CH3:61].[OH:51][CH2:52][CH2:53][S:54]([OH:55])(=[O:56])=[O:57]>>[CH3:1][O:2][c:3]1[c:4](-[c:11]2[cH:12][c:13]([C:35](=[O:36])[NH:37][C:38]3([C:48](=[O:49])[OH:50])[CH:39]4[CH2:40][CH:41]5[CH2:42][CH:43]([CH2:44][CH:45]3[CH2:46]5)[CH2:47]4)[n:14][n:15]2-[c:16]2[c:17]([CH:32]([CH3:33])[CH3:34])[cH:18][c:19]([C:22]([N:23]([CH2:24][CH2:25][CH2:26][N:27]([CH3:28])[CH3:29])[CH3:30])=[O:31])[cH:20][cH:21]2)[c:5]([O:9][CH3:10])[cH:6][cH:7][cH:8]1.[OH:51][CH2:52][CH2:53][S:54](=[O:55])(=[O:56])[OH:57]Participants
5
Sources & evidence
- ORD record
- ord-c7873fc50c914ecf9c986a948f78ffb8
- Source dataset
- Validation data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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