Methanesulfonic Acid → Methanesulfonic Acid

HRID 1143293Notes

Reaction equation

HRID 1143293 reaction equation
[CH2:32]([C:33]([CH3:34])=[O:35])[CH3:36].[CH3:27][S:28]([OH:29])(=[O:30])=[O:31].[CH:1]1([CH2:4][N:5]2[CH2:6][CH2:7][N:8]([c:11]3[c:12]([CH:17]4[CH2:18][C:19]([CH3:25])([CH3:26])[CH2:20][C:21]([CH3:23])([CH3:24])[CH2:22]4)[cH:13][cH:14][cH:15][cH:16]3)[CH2:9][CH2:10]2)[CH2:2][CH2:3]1>>[CH3:27][S:28](=[O:29])(=[O:30])[OH:31].[CH:1]1([CH2:4][N:5]2[CH2:6][CH2:7][N:8]([c:11]3[c:12]([CH:17]4[CH2:18][C:19]([CH3:25])([CH3:26])[CH2:20][C:21]([CH3:23])([CH3:24])[CH2:22]4)[cH:13][cH:14][cH:15][cH:16]3)[CH2:9][CH2:10]2)[CH2:2][CH2:3]1

Participants

5

Reactant 3

HCID 6395Methanesulfonic AcidHCID 6569Methyl Ethyl KetoneHCID 11302685859217-52-0

Product 2

HCID 6395Methanesulfonic AcidHCID 11302685859217-52-0

Sources & evidence

ORD record
ord-287cfe429eb5400bbca25b96bebe7bfe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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