Ethanol → Methanesulfonic Acid

HRID 1226536Notes

Reaction equation

HRID 1226536 reaction equation
[CH3:41][S:42]([OH:43])(=[O:44])=[O:45].[CH3:46][CH2:47][O:48][CH2:49][CH3:50].[CH3:51][CH2:52][OH:53].[CH:1]1([C:4](=[O:5])[NH:6][c:7]2[n:8][c:9]3[n:10]([cH:11][c:12]([O:15][c:16]4[c:17]([F:39])[cH:18][c:19]([NH:22][C:23](=[O:24])[c:25]5[c:26](=[O:38])[n:27](-[c:32]6[cH:33][cH:34][cH:35][cH:36][cH:37]6)[c:28]([CH3:31])[cH:29][cH:30]5)[cH:20][cH:21]4)[cH:13][cH:14]3)[cH:40]2)[CH2:2][CH2:3]1>>[CH3:41][S:42](=[O:43])(=[O:44])[OH:45].[CH:1]1([C:4](=[O:5])[NH:6][c:7]2[n:8][c:9]3[n:10]([cH:11][c:12]([O:15][c:16]4[c:17]([F:39])[cH:18][c:19]([NH:22][C:23](=[O:24])[c:25]5[c:26](=[O:38])[n:27](-[c:32]6[cH:33][cH:34][cH:35][cH:36][cH:37]6)[c:28]([CH3:31])[cH:29][cH:30]5)[cH:20][cH:21]4)[cH:13][cH:14]3)[cH:40]2)[CH2:2][CH2:3]1

Participants

6

Reactant 4

HCID 702EthanolHCID 3283Diethyl EtherHCID 6395Methanesulfonic AcidHCID 44595039N-(4-((2-((cyclopropylcarbonyl)amino)imidazo(1,2-a)pyridin-6-yl)oxy)-3-fluorophenyl)-6-methyl-2-oxo-1-phenyl-1,2-dihydropyridine-3-carboxamide

Product 2

HCID 6395Methanesulfonic AcidHCID 44595039N-(4-((2-((cyclopropylcarbonyl)amino)imidazo(1,2-a)pyridin-6-yl)oxy)-3-fluorophenyl)-6-methyl-2-oxo-1-phenyl-1,2-dihydropyridine-3-carboxamide

Sources & evidence

ORD record
ord-ff0b15def4724fc98d4b21d8e04950c8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…