Potassium Cation → 1-[4-chloro-2-fluoro-5-(5-hydroxypyridin-2-yloxy)-phenyl]-4-difluoromethyl-4,5-dihydro-3-methyl,1,2,4-triazol-5(1H)-one

HRID 1144663Notes

Reaction equation

HRID 1144663 reaction equation
[B-:7]([F:8])([F:9])([F:10])[F:11].[C:1]([O-:2])(=[O:3])[O-:4].[Cl:12][c:13]1[c:14]([O:15][c:16]2[n:17][cH:18][c:19]([N+:22]#[N:23])[cH:20][cH:21]2)[cH:24][c:25](-[n:29]2[n:30][c:31]([CH3:38])[n:32]([CH:35]([F:36])[F:37])[c:33]2=[O:34])[c:26]([F:28])[cH:27]1.[K+:5].[K+:6].[OH2:46].[OH:39][C:40]([C:41]([F:42])([F:43])[F:44])=[O:45]>>[OH:2][c:19]1[cH:18][n:17][c:16]([O:15][c:14]2[c:13]([Cl:12])[cH:27][c:26]([F:28])[c:25](-[n:29]3[n:30][c:31]([CH3:38])[n:32]([CH:35]([F:36])[F:37])[c:33]3=[O:34])[cH:24]2)[cH:21][cH:20]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6422Trifluoroacetic acidHCID 19660Carbonate IonHCID 26255TetrafluoroborateHCID 199122196-[2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenoxy]pyridine-3-diazonium

Product 1

HCID 199122291-[4-chloro-2-fluoro-5-(5-hydroxypyridin-2-yloxy)-phenyl]-4-difluoromethyl-4,5-dihydro-3-methyl,1,2,4-triazol-5(1H)-one

Sources & evidence

ORD record
ord-8d46df734bfa48c39b4e592b613cb073
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…