Potassium Cation → 7-(4-chlorophenyl)-2-((2-(hydroxymethyl)-6-(trifluoromethyl)pyridin-3-yl)methyl)-8-(pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

HRID 1547576Notes

Reaction equation

HRID 1547576 reaction equation
[C:1](=[O:2])([CH3:3])[O:4][CH2:5][c:6]1[n:7][c:8]([C:36]([F:37])([F:38])[F:39])[cH:9][cH:10][c:11]1[CH2:12][n:13]1[n:14][c:15]2[n:16]([cH:17][cH:18][c:19](-[c:27]3[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]3)[c:20]2-[c:21]2[cH:22][cH:23][n:24][cH:25][cH:26]2)[c:34]1=[O:35].[CH3:46][OH:47].[K+:40].[K+:41].[O-:42][C:43]([O-:44])=[O:45]>>[OH:4][CH2:5][c:6]1[n:7][c:8]([C:36]([F:37])([F:38])[F:39])[cH:9][cH:10][c:11]1[CH2:12][n:13]1[n:14][c:15]2[n:16]([cH:17][cH:18][c:19](-[c:27]3[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]3)[c:20]2-[c:21]2[cH:22][cH:23][n:24][cH:25][cH:26]2)[c:34]1=[O:35]

Participants

5

Reactant 4

HCID 813Potassium Cation2×HCID 887MethanolHCID 19660Carbonate IonHCID 16004843(3-((7-(4-chlorophenyl)-3-oxo-8-(pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)methyl)-6-(trifluoromethyl)pyridin-2-yl)methyl acetate

Product 1

HCID 160048747-(4-chlorophenyl)-2-((2-(hydroxymethyl)-6-(trifluoromethyl)pyridin-3-yl)methyl)-8-(pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

Sources & evidence

ORD record
ord-8694835e1f8548abb56272cdda3a3a59
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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