Methanol → Methanesulfonic Acid

HRID 2311076Notes

Reaction equation

HRID 2311076 reaction equation
[CH3:37][S:38]([OH:39])(=[O:40])=[O:41].[CH3:43][OH:44].[F:1][c:2]1[c:3](-[c:9]2[n:10][c:11](-[c:30]3[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]3)[c:12](-[c:14]3[cH:15][cH:16][c:17]4[c:18]([n:19]3)[n:20]([CH:24]([C:25]([CH3:26])([CH3:27])[CH3:28])[CH3:29])[c:21]([NH2:23])[n:22]4)[nH:13]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1.[OH2:42]>>[CH3:37][S:38](=[O:39])(=[O:40])[OH:41].[F:1][c:2]1[c:3](-[c:9]2[n:10][c:11](-[c:30]3[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]3)[c:12](-[c:14]3[cH:15][cH:16][c:17]4[c:18]([n:19]3)[n:20]([CH:24]([C:25]([CH3:26])([CH3:27])[CH3:28])[CH3:29])[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 77573380HCID 77573380, compound

Product 2

HCID 6395Methanesulfonic AcidHCID 77573380HCID 77573380, compound

Sources & evidence

ORD record
ord-5e196e921c5447399eb7c3acd5e6a2b0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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