Acetone → Methanesulfonic Acid

HRID 672758Notes

Reaction equation

HRID 672758 reaction equation
[CH3:38][S:39]([OH:40])(=[O:41])=[O:42].[CH3:43][C:44](=[O:45])[CH3:46].[Cl:1][c:2]1[c:3]([NH:9][c:10]2[nH:11][c:12]3[c:13]([n:14]2)[cH:15][c:16]([C:24](=[O:25])[NH:26][c:27]2[cH:28][c:29]([C:34]([F:35])([F:36])[F:37])[c:30]([F:33])[cH:31][cH:32]2)[c:17]2[c:18]3[CH2:19][C:20]([CH3:22])([CH3:23])[O:21]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1>>[CH3:38][S:39](=[O:40])(=[O:41])[OH:42].[Cl:1][c:2]1[c:3]([NH:9][c:10]2[nH:11][c:12]3[c:13]([n:14]2)[cH:15][c:16]([C:24](=[O:25])[NH:26][c:27]2[cH:28][c:29]([C:34]([F:35])([F:36])[F:37])[c:30]([F:33])[cH:31][cH:32]2)[c:17]2[c:18]3[CH2:19][C:20]([CH3:22])([CH3:23])[O:21]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1

Participants

5

Reactant 3

HCID 180AcetoneHCID 6395Methanesulfonic AcidHCID 178422781HCID 178422781, compound

Product 2

HCID 6395Methanesulfonic AcidHCID 178422781HCID 178422781, compound

Sources & evidence

ORD record
ord-8858bf65bda44d33babe54917ea6c8b6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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