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5-chloro-N-(1-hydroxy-2-methylpropan-2-yl)thiophene-2-sulfonamide → 5-[7-Trifluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiophene-2-sulfonic acid (2-hydroxy-1,1-dimethyl-ethyl)-amide

HRID 303293
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인쇄 미리보기

반응식

HRID 303293 반응식
[C:1](#[CH:2])[c:3]1[cH:4][n:5][n:6]2[c:7]1[n:8][c:9](-[c:16]1[cH:17][cH:18][c:19]([C:22]([F:23])([F:24])[F:25])[cH:20][cH:21]1)[cH:10][c:11]2[C:12]([F:13])([F:14])[F:15].[OH:26][CH2:27][C:28]([CH3:29])([CH3:30])[NH:31][S:32](=[O:33])(=[O:34])[c:35]1[s:36][c:37]([Cl:40])[cH:38][cH:39]1>>[C:1](#[C:2][c:37]1[s:36][c:35]([S:32]([NH:31][C:28]([CH2:27][OH:26])([CH3:29])[CH3:30])(=[O:33])=[O:34])[cH:39][cH:38]1)[c:3]1[cH:4][n:5][n:6]2[c:7]1[n:8][c:9](-[c:16]1[cH:17][cH:18][c:19]([C:22]([F:23])([F:24])[F:25])[cH:20][cH:21]1)[cH:10][c:11]2[C:12]([F:13])([F:14])[F:15]
참가 물질출처 및 근거반응 노트

참가 물질

3

반응물 2

HCID 225008235-chloro-N-(1-hydroxy-2-methylpropan-2-yl)thiophene-2-sulfonamideHCID 715397323-Ethynyl-7-trifluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidine

생성물 1

HCID 866080625-[7-Trifluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiophene-2-sulfonic acid (2-hydroxy-1,1-dimethyl-ethyl)-amide

출처 및 근거

ORD 기록
ord-f613537919ef46a78ae3919684ffaffa
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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