Ethanol → Methanesulfonic Acid
Reaction equation
[CH3:38][S:39]([OH:40])(=[O:41])=[O:42].[CH3:43][CH2:44][OH:45].[NH2:1][c:2]1[cH:3][c:4](-[n:10]2[cH:11][c:12]([C:35](=[O:36])[OH:37])[c:13](=[O:34])[c:14]3[cH:15][c:16]([F:33])[c:17]([N:20]4[CH2:21][CH:22]([NH:25][C:26]([CH:27]([NH2:28])[CH:29]([CH3:30])[CH3:31])=[O:32])[CH2:23][CH2:24]4)[n:18][c:19]23)[c:5]([F:9])[cH:6][c:7]1[F:8]>>[CH3:38][S:39](=[O:40])(=[O:41])[OH:42].[NH2:1][c:2]1[cH:3][c:4](-[n:10]2[cH:11][c:12]([C:35](=[O:36])[OH:37])[c:13](=[O:34])[c:14]3[cH:15][c:16]([F:33])[c:17]([N:20]4[CH2:21][CH:22]([NH:25][C:26]([CH:27]([NH2:28])[CH:29]([CH3:30])[CH3:31])=[O:32])[CH2:23][CH2:24]4)[n:18][c:19]23)[c:5]([F:9])[cH:6][c:7]1[F:8]Participants
5
Sources & evidence
- ORD record
- ord-fee3bd61eb7a4621996465637e34d435
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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