2-Chloro-p-toluidine → 2-(2-Chloro-4-methylphenylamino)-4-trifluoromethyl-pyrimidine-5-carboxylic acid cyclohexylmethyl-amide

반응식

[CH:1]1([CH2:7][NH:8][C:9](=[O:10])[c:11]2[c:12]([C:18]([F:19])([F:20])[F:21])[n:13][c:14]([Cl:17])[n:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl:22][c:23]1[c:24]([NH2:30])[cH:25][cH:26][c:27]([CH3:29])[cH:28]1.[O:31]1[CH2:32][CH2:33][O:34][CH2:35][CH2:36]1>>[CH:1]1([CH2:7][NH:8][C:9](=[O:10])[c:11]2[c:12]([C:18]([F:19])([F:20])[F:21])[n:13][c:14]([NH:30][c:24]3[c:23]([Cl:22])[cH:28][c:27]([CH3:29])[cH:26][cH:25]3)[n:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

참가 물질

반응물 3

HCID 120072-Chloro-p-toluidine

HCID 312751,4-Dioxane

HCID 579825812-Chloro-trifluoromethyl-pyrimidine-5-carboxylic acid cyclohexylmethyl-amide

생성물 1

HCID 579826322-(2-Chloro-4-methylphenylamino)-4-trifluoromethyl-pyrimidine-5-carboxylic acid cyclohexylmethyl-amide

출처 및 근거

ORD 기록: ord-d8202d1142134b2fa1fade414c93ef79
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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