1,4-Dioxane → 2-(2,3-Difluorophenylamino)-4-trifluoromethyl-pyrimidine-5-carboxylic acid cyclohexylmethyl-amide

反応式

[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.[F:22][c:23]1[c:24]([NH2:25])[cH:26][cH:27][cH:28][c:29]1[F:30].[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:25][c:24]3[c:23]([F:22])[c:29]([F:30])[cH:28][cH:27][cH:26]3)[n:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

参加物

反応物 3

HCID 312751,4-Dioxane

HCID 782782,3-Difluoroaniline

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

生成物 1

HCID 579826092-(2,3-Difluorophenylamino)-4-trifluoromethyl-pyrimidine-5-carboxylic acid cyclohexylmethyl-amide

出典と根拠

ORDレコード: ord-a0e00e7f6fe1489fb24d5c1a06458f12
出典データセット: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

反応ノート

読み込み中…