Ammonium → 1-(5-chloropyridin-2-yl)-5-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide

HRID 1560153Notes

Reaction equation

HRID 1560153 reaction equation
[C:30](=[O:31])([O-:32])[O-:33].[CH3:36][NH:37][CH:38]1[CH2:39][CH2:40][CH2:41][CH2:42][CH:43]1[NH:44][CH3:45].[Cl-:46].[Cl:22][c:23]1[cH:24][cH:25][c:26]([I:29])[n:27][cH:28]1.[Cu:48][I:49].[F:1][C:2]([c:3]1[cH:4][c:5]([CH:9]([CH3:10])[NH:11][C:12](=[O:13])[c:14]2[cH:15][n:16][nH:17][c:18]2[CH3:19])[cH:6][cH:7][cH:8]1)([F:20])[F:21].[K+:34].[K+:35].[NH4+:47].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH:9]([CH3:10])[NH:11][C:12](=[O:13])[c:14]2[cH:15][n:16][n:17](-[c:26]3[cH:25][cH:24][c:23]([Cl:22])[cH:28][n:27]3)[c:18]2[CH3:19])[cH:6][cH:7][cH:8]1)([F:20])[F:21]

Participants

10

Reactant 9

HCID 223AmmoniumHCID 312ChlorideHCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 5510741-N,2-N-dimethylcyclohexane-1,2-diamineHCID 111181485-Chloro-2-iodopyridineHCID 584434015-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-4-carboxamide

Product 1

HCID 584433881-(5-chloropyridin-2-yl)-5-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide

Sources & evidence

ORD record
ord-f459b35b5add4c019021163e2966889e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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