Ethanol → Methanesulfonic Acid

HRID 292267Notes

Reaction equation

HRID 292267 reaction equation
[CH3:32][S:33]([OH:34])(=[O:35])=[O:36].[CH3:37][CH2:38][OH:39].[CH:1]1([NH:4][CH2:5][CH:6]2[CH2:7][N:8]([c:12]3[c:13]([F:31])[cH:14][c:15]4[c:16]5[n:17]([cH:24][c:25]([C:28](=[O:29])[OH:30])[c:26]4=[O:27])[CH:18]([CH2:22][F:23])[CH2:19][O:20][c:21]35)[CH2:9][CH:10]2[F:11])[CH2:2][CH2:3]1>>[CH3:32][S:33](=[O:34])(=[O:35])[OH:36].[CH:1]1([NH:4][CH2:5][CH:6]2[CH2:7][N:8]([c:12]3[c:13]([F:31])[cH:14][c:15]4[c:16]5[n:17]([cH:24][c:25]([C:28](=[O:29])[OH:30])[c:26]4=[O:27])[CH:18]([CH2:22][F:23])[CH2:19][O:20][c:21]35)[CH2:9][CH:10]2[F:11])[CH2:2][CH2:3]1

Participants

5

Reactant 3

HCID 702EthanolHCID 6395Methanesulfonic AcidHCID 73319031HCID 73319031, compound

Product 2

HCID 6395Methanesulfonic AcidHCID 73319031HCID 73319031, compound

Sources & evidence

ORD record
ord-5f354d61ccc54a72991a9c0e63bfe62b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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