Potassium Cation → Methyl {3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetate

HRID 137599Notes

Reaction equation

HRID 137599 reaction equation
[C:27](=[O:28])([O-:29])[O-:30].[CH3:35][C:36]#[N:37].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9]([CH2:14][CH:15]([C:16]([F:17])([F:18])[F:19])[OH:20])[c:10](=[O:13])[nH:11][n:12]2)[cH:6][cH:7]1.[Cl:21][CH2:22][C:23](=[O:24])[O:25][CH3:26].[I-:34].[K+:31].[K+:32].[K+:33]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9]([CH2:14][CH:15]([C:16]([F:17])([F:18])[F:19])[OH:20])[c:10](=[O:13])[n:11]([CH2:22][C:23](=[O:24])[O:25][CH3:26])[n:12]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation3×HCID 6342AcetonitrileHCID 7295Methyl chloroacetateHCID 19660Carbonate IonHCID 30165Iodide IonHCID 584601185-(4-Chlorophenyl)-4-(3,3,3-trifluoro-2-hydroxypropyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

Product 1

HCID 58011736Methyl {3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetate

Sources & evidence

ORD record
ord-9260b850b5234205ab76fe594ccc4dab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…