Isopropanol → Methanesulfonic Acid

HRID 666487Notes

Reaction equation

HRID 666487 reaction equation
[CH3:22][S:23]([OH:24])(=[O:25])=[O:26].[CH:27]([OH:28])([CH3:29])[CH3:30].[Cl:1][c:2]1[c:3]2[cH:4][cH:5][cH:6][n:7][c:8]2[c:9]([O:12][C:13](=[O:14])[NH:15][CH2:16][C:17](=[O:18])[O:19][CH2:20][CH3:21])[cH:10][cH:11]1>>[CH3:22][S:23](=[O:24])(=[O:25])[OH:26].[Cl:1][c:2]1[c:3]2[cH:4][cH:5][cH:6][n:7][c:8]2[c:9]([O:12][C:13](=[O:14])[NH:15][CH2:16][C:17](=[O:18])[O:19][CH2:20][CH3:21])[cH:10][cH:11]1

Participants

5

Reactant 3

HCID 3776IsopropanolHCID 6395Methanesulfonic AcidHCID 13338827HCID 13338827, compound

Product 2

HCID 6395Methanesulfonic AcidHCID 13338827HCID 13338827, compound

Sources & evidence

ORD record
ord-524babc04d2d4fa7854450786f7d6ca4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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