Methanol → 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[3-(2,3-dihydroxypropoxy)phenyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide

HRID 197255Notes

Reaction equation

HRID 197255 reaction equation
[CH3:40][c:41]1[cH:42][cH:43][c:44]([S:45](=[O:46])(=[O:47])[OH:48])[cH:49][cH:50]1.[CH3:51][OH:52].[F:1][C:2]1([F:39])[O:3][c:4]2[c:5]([cH:7][cH:8][c:9]([C:11]3([C:14](=[O:15])[NH:16][c:17]4[n:18][c:19](-[c:24]5[cH:25][c:26]([O:30][CH2:31][CH:32]6[O:33][C:34]([CH3:37])([CH3:38])[O:35][CH2:36]6)[cH:27][cH:28][cH:29]5)[c:20]([CH3:23])[cH:21][cH:22]4)[CH2:12][CH2:13]3)[cH:10]2)[O:6]1.[OH2:53]>>[F:1][C:2]1([F:39])[O:3][c:4]2[c:5]([cH:7][cH:8][c:9]([C:11]3([C:14](=[O:15])[NH:16][c:17]4[n:18][c:19](-[c:24]5[cH:25][c:26]([O:30][CH2:31][CH:32]([OH:33])[CH2:36][OH:35])[cH:27][cH:28][cH:29]5)[c:20]([CH3:23])[cH:21][cH:22]4)[CH2:12][CH2:13]3)[cH:10]2)[O:6]1

Participants

5

Reactant 4

HCID 887MethanolHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 672555781-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide

Product 1

HCID 672563411-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[3-(2,3-dihydroxypropoxy)phenyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide

Sources & evidence

ORD record
ord-ad086d8614c34cf88c05c253fae7cc11
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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