Potassium Cation → 4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydro-isoxazole-3-yl]-2-methyl-N-(5-pyrimidinyl)benzoic acid amide

HRID 1206995Notes

Reaction equation

HRID 1206995 reaction equation
[Br:28][c:29]1[cH:30][n:31][cH:32][n:33][cH:34]1.[CH2:43]1[O:44][CH2:45][CH2:46][O:47][CH2:48]1.[Cl:1][c:2]1[cH:3][c:4]([C:9]2([C:24]([F:25])([F:26])[F:27])[CH2:10][C:11]([c:14]3[cH:15][c:16]([CH3:23])[c:17]([C:18](=[O:19])[NH2:20])[cH:21][cH:22]3)=[N:12][O:13]2)[cH:5][c:6]([Cl:8])[cH:7]1.[Cu:49]([I:50])[I:51].[K+:40].[K+:41].[K+:42].[P:35]([O-:36])([O-:37])([O-:38])=[O:39]>>[Cl:1][c:2]1[cH:3][c:4]([C:9]2([C:24]([F:25])([F:26])[F:27])[CH2:10][C:11]([c:14]3[cH:15][c:16]([CH3:23])[c:17]([C:18](=[O:19])[NH:20][c:29]4[cH:30][n:31][cH:32][n:33][cH:34]4)[cH:21][cH:22]3)=[N:12][O:13]2)[cH:5][c:6]([Cl:8])[cH:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation3×HCID 1061PhosphateHCID 312751,4-DioxaneHCID 783445-BromopyrimidineHCID 83717Copper iodideHCID 667845734-(5-(3,5-Dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-2-methylbenzamide

Product 1

HCID 252168994-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydro-isoxazole-3-yl]-2-methyl-N-(5-pyrimidinyl)benzoic acid amide

Sources & evidence

ORD record
ord-2d708885082a4b66896d42c244badc3d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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