Isopropanol → Methanesulfonic Acid

HRID 2315358Notes

Reaction equation

HRID 2315358 reaction equation
[CH3:26][S:27]([OH:28])(=[O:29])=[O:30].[CH:31]([OH:32])([CH3:33])[CH3:34].[F:1][c:2]1[c:3](-[c:9]2[n:10][cH:11][o:12][c:13]2-[c:14]2[cH:15][cH:16][c:17]3[n:18]([cH:19]2)[c:20]([CH:23]([CH3:24])[CH3:25])[n:21][n:22]3)[cH:4][c:5]([F:8])[cH:6][cH:7]1>>[CH3:26][S:27](=[O:28])(=[O:29])[OH:30].[F:1][c:2]1[c:3](-[c:9]2[n:10][cH:11][o:12][c:13]2-[c:14]2[cH:15][cH:16][c:17]3[n:18]([cH:19]2)[c:20]([CH:23]([CH3:24])[CH3:25])[n:21][n:22]3)[cH:4][c:5]([F:8])[cH:6][cH:7]1

Participants

5

Reactant 3

HCID 3776IsopropanolHCID 6395Methanesulfonic AcidHCID 9949821CP-863187

Product 2

HCID 6395Methanesulfonic AcidHCID 9949821CP-863187

Sources & evidence

ORD record
ord-8f3c893bd3384a03965b33929e2770e5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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