Acetone → Methanesulfonic Acid

HRID 2332241Notes

Reaction equation

HRID 2332241 reaction equation
[CH3:37][S:38]([OH:39])(=[O:40])=[O:41].[CH3:42][C:43](=[O:44])[CH3:45].[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[n:28][cH:29][c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]2)[c:17]2[c:18]3[CH2:19][C:20]([CH3:22])([CH3:23])[O:21]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1>>[CH3:37][S:38](=[O:39])(=[O:40])[OH:41].[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[n:28][cH:29][c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]2)[c:17]2[c:18]3[CH2:19][C:20]([CH3:22])([CH3:23])[O:21]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1

Participants

5

Reactant 3

HCID 180AcetoneHCID 6395Methanesulfonic AcidHCID 178422767HCID 178422767, compound

Product 2

HCID 6395Methanesulfonic AcidHCID 178422767HCID 178422767, compound

Sources & evidence

ORD record
ord-095dc66060b846a8bc29e4073327367c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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