Isopropanol → Methanesulfonic Acid

HRID 171366Notes

Reaction equation

HRID 171366 reaction equation
[CH3:1][S:2]([OH:3])(=[O:4])=[O:5].[CH3:6][CH:7]1[N:8]([CH2:14][CH2:15][CH2:16][C:17]([OH:18])([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH:9]([CH3:13])[CH2:10][CH2:11][CH2:12]1.[CH:31]([OH:32])([CH3:33])[CH3:34]>>[CH3:1][S:2](=[O:3])(=[O:4])[OH:5].[CH3:6][CH:7]1[N:8]([CH2:14][CH2:15][CH2:16][C:17]([OH:18])([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH:9]([CH3:13])[CH2:10][CH2:11][CH2:12]1

Participants

5

Reactant 3

HCID 3776IsopropanolHCID 6395Methanesulfonic AcidHCID 14810506HCID 14810506, compound

Product 2

HCID 6395Methanesulfonic AcidHCID 14810506HCID 14810506, compound

Sources & evidence

ORD record
ord-4622024571714029b14d24144c26c1e5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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