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

HRID 1234692Notes

Reaction equation

HRID 1234692 reaction equation
[C:38](=[O:39])([O-:40])[O-:41].[CH3:44][C:45]#[N:46].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9]([CH2:14][c:15]3[cH:16][c:17]([F:21])[cH:18][cH:19][cH:20]3)[c:10](=[O:13])[nH:11][n:12]2)[cH:6][cH:7]1.[Cl:22][CH2:23][C:24](=[O:25])[NH:26][CH2:27][c:28]1[cH:29][c:30]([C:34]([F:35])([F:36])[F:37])[cH:31][cH:32][cH:33]1.[K+:42].[K+:43].[OH2:47]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9]([CH2:14][c:15]3[cH:16][c:17]([F:21])[cH:18][cH:19][cH:20]3)[c:10](=[O:13])[n:11]([CH2:23][C:24](=[O:25])[NH:26][CH2:27][c:28]3[cH:29][c:30]([C:34]([F:35])([F:36])[F:37])[cH:31][cH:32][cH:33]3)[n:12]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 212778322-Chloro-N-(3-trifluoromethyl-benzyl)-acetamideHCID 580118615-(4-chlorophenyl)-4-(3-fluorophenylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

Product 1

HCID 580122682-[3-(4-chlorophenyl)-4-(3-fluorophenylmethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-[3-(tri-fluoromethyl)phenylmethyl]acetamide

Sources & evidence

ORD record
ord-9a4e093395934dfba53538a20f9fddaf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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