Acetone → Methanesulfonic Acid

HRID 160909Notes

Reaction equation

HRID 160909 reaction equation
[CH3:33][S:34]([OH:35])(=[O:36])=[O:37].[CH3:38][C:39](=[O:40])[CH3:41].[O:1]1[CH2:2][CH2:3][N:4]([CH2:7][CH2:8][O:9][c:10]2[cH:11][cH:12][c:13](-[c:16]3[cH:17][cH:18][c:19]([CH2:22][C:23](=[O:24])[NH:25][CH2:26][c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[n:20][cH:21]3)[cH:14][cH:15]2)[CH2:5][CH2:6]1>>[CH3:33][S:34](=[O:35])(=[O:36])[OH:37].[O:1]1[CH2:2][CH2:3][N:4]([CH2:7][CH2:8][O:9][c:10]2[cH:11][cH:12][c:13](-[c:16]3[cH:17][cH:18][c:19]([CH2:22][C:23](=[O:24])[NH:25][CH2:26][c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[n:20][cH:21]3)[cH:14][cH:15]2)[CH2:5][CH2:6]1

Participants

5

Reactant 3

HCID 180AcetoneHCID 6395Methanesulfonic AcidHCID 23635314Tirbanibulin

Product 2

HCID 6395Methanesulfonic AcidHCID 23635314Tirbanibulin

Sources & evidence

ORD record
ord-3cc652fcb88c40b196a973f7287cc2a3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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