Methanesulfonic Acid → Methanesulfonic Acid

HRID 166898Notes

Reaction equation

HRID 166898 reaction equation
[CH3:1][S:2]([OH:3])(=[O:4])=[O:5].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[CH:6]1([NH:9][C:10]([c:11]2[cH:12][c:13](-[n:18]3[cH:19][n:20][c:21]4[cH:22][cH:23][c:24]([S:29][CH2:30][CH2:31][N:32]([CH3:33])[CH3:34])[cH:25][c:26]4[c:27]3=[O:28])[c:14]([CH3:17])[cH:15][cH:16]2)=[O:35])[CH2:7][CH2:8]1>>[CH3:1][S:2](=[O:3])(=[O:4])[OH:5].[CH:6]1([NH:9][C:10]([c:11]2[cH:12][c:13](-[n:18]3[cH:19][n:20][c:21]4[cH:22][cH:23][c:24]([S:29][CH2:30][CH2:31][N:32]([CH3:33])[CH3:34])[cH:25][c:26]4[c:27]3=[O:28])[c:14]([CH3:17])[cH:15][cH:16]2)=[O:35])[CH2:7][CH2:8]1

Participants

5

Reactant 3

HCID 6395Methanesulfonic AcidHCID 8857Ethyl AcetateHCID 66919015HCID 66919015, compound

Product 2

HCID 6395Methanesulfonic AcidHCID 66919015HCID 66919015, compound

Sources & evidence

ORD record
ord-1cc65ef384904c9786ff42faa0cdacf8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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