Methanol → 2-[3-(2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-3-(1-fluorocyclopentyl)propanamide

HRID 1129844Notes

Reaction equation

HRID 1129844 reaction equation
[CH3:51][OH:52].[F:1][c:2]1[c:3]([O:4][C:5]2=[CH:6][C:7](=[O:34])[N:8]([CH:10]([C:11](=[O:12])[NH:13][c:14]3[n:15][n:16]([CH2:19][CH:20]4[O:21][C:22]([CH3:25])([CH3:26])[O:23][CH2:24]4)[cH:17][cH:18]3)[CH2:27][C:28]3([F:33])[CH2:29][CH2:30][CH2:31][CH2:32]3)[CH2:9]2)[c:35]([F:39])[cH:36][cH:37][cH:38]1.[c:40]1([CH3:41])[cH:42][cH:43][c:44]([S:45]([OH:46])(=[O:47])=[O:48])[cH:49][cH:50]1>>[F:1][c:2]1[c:3]([O:4][C:5]2=[CH:6][C:7](=[O:34])[N:8]([CH:10]([C:11](=[O:12])[NH:13][c:14]3[n:15][n:16]([CH2:19][CH:20]([OH:21])[CH2:24][OH:23])[cH:17][cH:18]3)[CH2:27][C:28]3([F:33])[CH2:29][CH2:30][CH2:31][CH2:32]3)[CH2:9]2)[c:35]([F:39])[cH:36][cH:37][cH:38]1

Participants

4

Reactant 3

HCID 887MethanolHCID 6101p-Toluenesulfonic acidHCID 668992052-[3-(2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-3-yl]-3-(1-fluorocyclopentyl)propanamide

Product 1

HCID 668990952-[3-(2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-3-(1-fluorocyclopentyl)propanamide

Sources & evidence

ORD record
ord-cdffb32dc357438783e8a146407cd30a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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