Methanol → Methanesulfonic Acid

HRID 115226Notes

Reaction equation

HRID 115226 reaction equation
[CH3:35][S:36]([OH:37])(=[O:38])=[O:39].[CH3:41][OH:42].[Cl:1][c:2]1[c:3](-[c:9]2[n:10][c:11](-[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[c:12](-[c:14]3[cH:15][cH:16][c:17]4[c:18]([n:19]3)[n:20]([CH2:24][C:25]([CH3:26])([CH3:27])[CH3:28])[c:21]([NH2:23])[n:22]4)[nH:13]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1.[OH2:40]>>[CH3:35][S:36](=[O:37])(=[O:38])[OH:39].[Cl:1][c:2]1[c:3](-[c:9]2[n:10][c:11](-[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[c:12](-[c:14]3[cH:15][cH:16][c:17]4[c:18]([n:19]3)[n:20]([CH2:24][C:25]([CH3:26])([CH3:27])[CH3:28])[c:21]([NH2:23])[n:22]4)[nH:13]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1

Participants

6

Reactant 4

HCID 887MethanolHCID 962WaterHCID 6395Methanesulfonic AcidHCID 11705579HCID 11705579, compound

Product 2

HCID 6395Methanesulfonic AcidHCID 11705579HCID 11705579, compound

Sources & evidence

ORD record
ord-b6612ce8c7d6477c985b355c25413fdc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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