Hydrochloric Acid → 2-(Phenylamino)-4-trifluoromethyl-pyrimidine-5-carboxylic acid cyclopentylmethyl-amide

반응식

[CH:22]1([CH2:27][NH2:28])[CH2:23][CH2:24][CH2:25][CH2:26]1.[ClH:21].[c:1]1([NH:7][c:8]2[n:9][cH:10][c:11]([C:18](=[O:19])[OH:20])[c:12]([C:14]([F:15])([F:16])[F:17])[n:13]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([NH:7][c:8]2[n:9][cH:10][c:11]([C:18](=[O:20])[NH:28][CH2:27][CH:22]3[CH2:23][CH2:24][CH2:25][CH2:26]3)[c:12]([C:14]([F:15])([F:16])[F:17])[n:13]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 80153Cyclopentanemethylamine

HCID 167195502-(Phenylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid

생성물 1

HCID 579826782-(Phenylamino)-4-trifluoromethyl-pyrimidine-5-carboxylic acid cyclopentylmethyl-amide

출처 및 근거

ORD 기록: ord-c2da29df93af46b382803a1dccd0c69f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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