Ethanol → Methanesulfonic Acid

HRID 178291Notes

Reaction equation

HRID 178291 reaction equation
[CH3:32][S:33]([OH:34])(=[O:35])=[O:36].[CH3:37][CH2:38][OH:39].[CH:1]1([n:4]2[cH:5][c:6]([C:29](=[O:30])[OH:31])[c:7](=[O:28])[c:8]3[cH:9][cH:10][c:11](-[c:18]4[cH:19][c:20]5[c:24]([cH:25][cH:26]4)[CH:23]([CH3:27])[NH:22][CH2:21]5)[c:12]([O:14][CH:15]([F:16])[F:17])[c:13]23)[CH2:2][CH2:3]1>>[CH3:32][S:33](=[O:34])(=[O:35])[OH:36].[CH:1]1([n:4]2[cH:5][c:6]([C:29](=[O:30])[OH:31])[c:7](=[O:28])[c:8]3[cH:9][cH:10][c:11](-[c:18]4[cH:19][c:20]5[c:24]([cH:25][cH:26]4)[CH:23]([CH3:27])[NH:22][CH2:21]5)[c:12]([O:14][CH:15]([F:16])[F:17])[c:13]23)[CH2:2][CH2:3]1

Participants

5

Reactant 3

HCID 702EthanolHCID 6395Methanesulfonic AcidHCID 4799301-Cyclopropyl-8-(difluoromethoxy)-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Product 2

HCID 6395Methanesulfonic AcidHCID 4799301-Cyclopropyl-8-(difluoromethoxy)-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Sources & evidence

ORD record
ord-b0ddd7765f8f4b2bac12e090b085b140
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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