Methanol → Methanesulfonic Acid

HRID 298871Notes

Reaction equation

HRID 298871 reaction equation
[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10]([c:13]3[cH:14][c:15]([F:20])[c:16]([F:19])[cH:17][cH:18]3)([CH2:21][CH2:22][N:23]3[CH2:24][CH2:25][CH:26]([NH:29][c:30]4[n:31][c:32]5[c:33]([n:34]4[CH2:35][c:36]4[n:37][cH:38][cH:39][cH:40][cH:41]4)[cH:42][cH:43][cH:44][cH:45]5)[CH2:27][CH2:28]3)[CH2:11][CH2:12]2)[cH:46][c:47]([O:51][CH3:52])[c:48]1[O:49][CH3:50].[CH3:53][S:54]([OH:55])(=[O:56])=[O:57].[CH3:58][OH:59].[CH3:60][CH2:61][O:62][CH2:63][CH3:64].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10]([c:13]3[cH:14][c:15]([F:20])[c:16]([F:19])[cH:17][cH:18]3)([CH2:21][CH2:22][N:23]3[CH2:24][CH2:25][CH:26]([NH:29][c:30]4[n:31][c:32]5[c:33]([n:34]4[CH2:35][c:36]4[n:37][cH:38][cH:39][cH:40][cH:41]4)[cH:42][cH:43][cH:44][cH:45]5)[CH2:27][CH2:28]3)[CH2:11][CH2:12]2)[cH:46][c:47]([O:51][CH3:52])[c:48]1[O:49][CH3:50].[CH3:53][S:54](=[O:55])(=[O:56])[OH:57]

Participants

7

Reactant 5

HCID 887MethanolHCID 3283Diethyl EtherHCID 6395Methanesulfonic AcidHCID 8857Ethyl AcetateHCID 9875019HCID 9875019, compound

Product 2

HCID 6395Methanesulfonic AcidHCID 9875019HCID 9875019, compound

Sources & evidence

ORD record
ord-afa173b6568047cd894fbd5b12cf724d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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