Methanol → Methanesulfonic Acid

HRID 123304Notes

Reaction equation

HRID 123304 reaction equation
[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:41][S:42]([OH:43])(=[O:44])=[O:45].[CH3:46][OH:47].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][CH2:10][N:11]2[CH2:12][CH2:13][N:14]([C:17](=[O:18])[c:19]3[cH:20][c:21]4[c:22]([n:23][c:24](-[c:34]5[cH:35][cH:36][cH:37][cH:38][cH:39]5)[n:25][c:26]4[NH:27][CH2:28][CH2:29][NH:30][C:31]([CH3:32])=[O:33])[nH:40]3)[CH2:15][CH2:16]2)[cH:6][cH:7]1>>[CH3:41][S:42](=[O:43])(=[O:44])[OH:45].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][CH2:10][N:11]2[CH2:12][CH2:13][N:14]([C:17](=[O:18])[c:19]3[cH:20][c:21]4[c:22]([n:23][c:24](-[c:34]5[cH:35][cH:36][cH:37][cH:38][cH:39]5)[n:25][c:26]4[NH:27][CH2:28][CH2:29][NH:30][C:31]([CH3:32])=[O:33])[nH:40]3)[CH2:15][CH2:16]2)[cH:6][cH:7]1

Participants

6

Reactant 4

HCID 887MethanolHCID 6395Methanesulfonic AcidHCID 8028TetrahydrofuranHCID 10218428HCID 10218428, compound

Product 2

HCID 6395Methanesulfonic AcidHCID 10218428HCID 10218428, compound

Sources & evidence

ORD record
ord-e1055ad08b894fc6a83379074d62ea2a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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