4-Isoxazolecarbonyl chloride, 3-(2-chlorophenyl)-5-methyl- → 3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxylic acid [4-dimethylamino-4-(3-fluorophenyl)cyclohexyl]amide

HRID 292973

Reaction equation

HRID 292973 reaction equation
[Cl:18][c:19]1[c:20](-[c:25]2[n:26][o:27][c:28]([CH3:33])[c:29]2[C:30](=[O:31])[Cl:32])[cH:21][cH:22][cH:23][cH:24]1.[F:1][c:2]1[cH:3][c:4]([C:8]2([N:15]([CH3:16])[CH3:17])[CH2:9][CH2:10][CH:11]([NH2:14])[CH2:12][CH2:13]2)[cH:5][cH:6][cH:7]1>>[F:1][c:2]1[cH:3][c:4]([C:8]2([N:15]([CH3:16])[CH3:17])[CH2:9][CH2:10][CH:11]([NH:14][C:30]([c:29]3[c:25](-[c:20]4[c:19]([Cl:18])[cH:24][cH:23][cH:22][cH:21]4)[n:26][o:27][c:28]3[CH3:33])=[O:31])[CH2:12][CH2:13]2)[cH:5][cH:6][cH:7]1

Participants

3

Reactant 2

HCID 965904-Isoxazolecarbonyl chloride, 3-(2-chlorophenyl)-5-methyl-HCID 579041991-(3-fluorophenyl)-N,N-dimethylcyclohexane-1,4-diamine

Product 1

HCID 116982073-(2-Chlorophenyl)-5-methylisoxazole-4-carboxylic acid [4-dimethylamino-4-(3-fluorophenyl)cyclohexyl]amide

Sources & evidence

ORD record
ord-50e5adadedf945c4ac6f3c82f2e50e8d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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