Ethanol → Methanesulfonic Acid
Reaction equation
[CH2:6]([CH3:7])[O:8][C:9]([CH:10]([CH2:11][c:12]1[cH:13][cH:14][c:15]([O:18][CH2:19][CH2:20][c:21]2[n:22][c:23](-[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[o:24][c:25]2[CH3:26])[cH:16][cH:17]1)[NH:33][CH2:34][c:35]1[cH:36][cH:37][c:38]([F:41])[cH:39][cH:40]1)=[O:42].[CH3:1][S:2]([OH:3])(=[O:4])=[O:5].[CH3:50][CH2:51][OH:52].[CH:43]([O:44][CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49]>>[CH2:6]([CH3:7])[O:8][C:9]([CH:10]([CH2:11][c:12]1[cH:13][cH:14][c:15]([O:18][CH2:19][CH2:20][c:21]2[n:22][c:23](-[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[o:24][c:25]2[CH3:26])[cH:16][cH:17]1)[NH:33][CH2:34][c:35]1[cH:36][cH:37][c:38]([F:41])[cH:39][cH:40]1)=[O:42].[CH3:1][S:2](=[O:3])(=[O:4])[OH:5]Participants
6
Sources & evidence
- ORD record
- ord-fa8a8572c45e4981ae18f19302b3245f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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