Methanol → Methanesulfonic Acid

HRID 168561Notes

Reaction equation

HRID 168561 reaction equation
[CH3:48][S:49]([OH:50])(=[O:51])=[O:52].[CH3:53][OH:54].[F:1][CH:2]([c:3]1[n:4][c:5]2[c:6]([n:7]1-[c:8]1[n:9][c:10]([N:35]3[CH2:36][CH2:37][O:38][CH2:39][CH2:40]3)[n:11][c:12]([N:14]3[CH2:15][CH2:16][N:17]([S:20](=[O:21])(=[O:22])[CH2:23][CH2:24][N:25]4[CH2:26][CH2:27][N:28]([S:31](=[O:32])(=[O:33])[CH3:34])[CH2:29][CH2:30]4)[CH2:18][CH2:19]3)[n:13]1)[cH:41][cH:42][cH:43][c:44]2[O:45][CH3:46])[F:47]>>[CH3:48][S:49](=[O:50])(=[O:51])[OH:52].[F:1][CH:2]([c:3]1[n:4][c:5]2[c:6]([n:7]1-[c:8]1[n:9][c:10]([N:35]3[CH2:36][CH2:37][O:38][CH2:39][CH2:40]3)[n:11][c:12]([N:14]3[CH2:15][CH2:16][N:17]([S:20](=[O:21])(=[O:22])[CH2:23][CH2:24][N:25]4[CH2:26][CH2:27][N:28]([S:31](=[O:32])(=[O:33])[CH3:34])[CH2:29][CH2:30]4)[CH2:18][CH2:19]3)[n:13]1)[cH:41][cH:42][cH:43][c:44]2[O:45][CH3:46])[F:47]

Participants

5

Reactant 3

HCID 887MethanolHCID 6395Methanesulfonic AcidHCID 46917647HCID 46917647, compound

Product 2

HCID 6395Methanesulfonic AcidHCID 46917647HCID 46917647, compound

Sources & evidence

ORD record
ord-24979e3d494f426b92ef0afc1a3df18c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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