Isopropanol → Methanesulfonic Acid

HRID 1547131Notes

Reaction equation

HRID 1547131 reaction equation
[CH3:30][S:31]([OH:32])(=[O:33])=[O:34].[CH:1]1([n:4]2[cH:5][c:6]([C:27](=[O:28])[OH:29])[c:7](=[O:26])[c:8]3[cH:9][c:10]([F:25])[c:11]([N:16]4[CH2:17][C:18]([CH3:23])([CH3:24])[CH:19]([NH2:22])[CH2:20][CH2:21]4)[c:12]([O:14][CH3:15])[c:13]23)[CH2:2][CH2:3]1.[CH:35]([OH:36])([CH3:37])[CH3:38]>>[CH3:30][S:31](=[O:32])(=[O:33])[OH:34].[CH:1]1([n:4]2[cH:5][c:6]([C:27](=[O:28])[OH:29])[c:7](=[O:26])[c:8]3[cH:9][c:10]([F:25])[c:11]([N:16]4[CH2:17][C:18]([CH3:23])([CH3:24])[CH:19]([NH2:22])[CH2:20][CH2:21]4)[c:12]([O:14][CH3:15])[c:13]23)[CH2:2][CH2:3]1

Participants

5

Reactant 3

HCID 3776IsopropanolHCID 6395Methanesulfonic AcidHCID 9801295HCID 9801295, compound

Product 2

HCID 6395Methanesulfonic AcidHCID 9801295HCID 9801295, compound

Sources & evidence

ORD record
ord-3432ffdc13c5440cbcef7e69e6bc95b0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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