Acetone → Methanesulfonic Acid

HRID 2145432Notes

Reaction equation

HRID 2145432 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[cH:3][n:4][cH:5][c:6]([Cl:37])[c:7]1[NH:8][c:9]1[n:10][c:11]2[c:12]([nH:13]1)[c:14]1[c:18]([c:19]([C:21](=[O:22])[NH:23][c:24]3[cH:25][c:26]([C:31]([F:32])([F:33])[F:34])[c:27]([F:30])[cH:28][cH:29]3)[cH:20]2)[O:17][C:16]([CH3:35])([CH3:36])[CH2:15]1>>[CH3:38][S:39](=[O:40])(=[O:41])[OH:42].[Cl:1][c:2]1[cH:3][n:4][cH:5][c:6]([Cl:37])[c:7]1[NH:8][c:9]1[n:10][c:11]2[c:12]([nH:13]1)[c:14]1[c:18]([c:19]([C:21](=[O:22])[NH:23][c:24]3[cH:25][c:26]([C:31]([F:32])([F:33])[F:34])[c:27]([F:30])[cH:28][cH:29]3)[cH:20]2)[O:17][C:16]([CH3:35])([CH3:36])[CH2:15]1

Participants

5

Reactant 3

HCID 180AcetoneHCID 6395Methanesulfonic AcidHCID 178422778HCID 178422778, compound

Product 2

HCID 6395Methanesulfonic AcidHCID 178422778HCID 178422778, compound

Sources & evidence

ORD record
ord-1faf737320104b488dcc130918e0115e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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