Potassium Cation → 2-[3-(4-chlorophenyl)-4-(4-methoxyphenylmethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-[3-(trifluoromethyl)phenylmethyl]acetamide

HRID 2330823Notes

Reaction equation

HRID 2330823 reaction equation
[C:39](=[O:40])([O-:41])[O-:42].[CH3:45][C:46]#[N:47].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9]([CH2:14][c:15]3[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]3)[c:10](=[O:13])[nH:11][n:12]2)[cH:6][cH:7]1.[Cl:23][CH2:24][C:25](=[O:26])[NH:27][CH2:28][c:29]1[cH:30][c:31]([C:35]([F:36])([F:37])[F:38])[cH:32][cH:33][cH:34]1.[K+:43].[K+:44]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9]([CH2:14][c:15]3[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]3)[c:10](=[O:13])[n:11]([CH2:24][C:25](=[O:26])[NH:27][CH2:28][c:29]3[cH:30][c:31]([C:35]([F:36])([F:37])[F:38])[cH:32][cH:33][cH:34]3)[n:12]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 212778322-Chloro-N-(3-trifluoromethyl-benzyl)-acetamideHCID 580122805-(4-chlorophenyl)-4-(4-methoxybenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

Product 1

HCID 580120502-[3-(4-chlorophenyl)-4-(4-methoxyphenylmethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-[3-(trifluoromethyl)phenylmethyl]acetamide

Sources & evidence

ORD record
ord-09876854c3464c77909700198fd8595e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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