7-Difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid → HCID 86607120, 화합물

반응식

[F:1][CH:2]([c:3]1[cH:4][c:5](-[c:15]2[cH:16][cH:17][c:18]([C:21]([F:22])([F:23])[F:24])[cH:19][cH:20]2)[n:6][c:7]2[n:8]1[n:9][cH:10][c:11]2[C:12](=[O:13])[OH:14])[F:25].[OH:26][CH2:27][C:28]([CH3:29])([CH2:30][OH:31])[NH:32][S:33](=[O:34])(=[O:35])[c:36]1[s:37][c:38]([Cl:42])[c:39]([NH2:41])[cH:40]1>>[F:1][CH:2]([c:3]1[cH:4][c:5](-[c:15]2[cH:16][cH:17][c:18]([C:21]([F:22])([F:23])[F:24])[cH:19][cH:20]2)[n:6][c:7]2[n:8]1[n:9][cH:10][c:11]2[C:12](=[O:14])[NH:41][c:39]1[c:38]([Cl:42])[s:37][c:36]([S:33]([NH:32][C:28]([CH2:27][OH:26])([CH3:29])[CH2:30][OH:31])(=[O:34])=[O:35])[cH:40]1)[F:25]

참가 물질

반응물 2

HCID 666502687-Difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

HCID 672187954-Amino-5-chloro-thiophene-2-sulfonic acid (2-hydroxy-1-hydroxymethyl-1-methyl-ethyl)-amide

생성물 1

HCID 86607120HCID 86607120, 화합물

출처 및 근거

ORD 기록: ord-3223113f7a3145148fbe2a9b8ab4fb0d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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