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5-bromo-N-(1,3-dihydroxy-2-methylpropan-2-yl)pyridine-3-sulfonamide → 5-[7-Difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-pyridine-3-sulfonic acid (2-hydroxy-1-hydroxymethyl-1-methyl-ethyl)-amide

HRID 309995
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인쇄 미리보기

반응식

HRID 309995 반응식
[F:1][CH:2]([c:3]1[cH:4][c:5](-[c:14]2[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[n:6][c:7]2[n:8]1[n:9][cH:10][c:11]2[C:12]#[CH:13])[F:24].[OH:25][CH2:26][C:27]([CH3:28])([CH2:29][OH:30])[NH:31][S:32](=[O:33])(=[O:34])[c:35]1[cH:36][n:37][cH:38][c:39]([Br:41])[cH:40]1>>[F:1][CH:2]([c:3]1[cH:4][c:5](-[c:14]2[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[n:6][c:7]2[n:8]1[n:9][cH:10][c:11]2[C:12]#[C:13][c:39]1[cH:38][n:37][cH:36][c:35]([S:32]([NH:31][C:27]([CH2:26][OH:25])([CH3:28])[CH2:29][OH:30])(=[O:33])=[O:34])[cH:40]1)[F:24]
참가 물질출처 및 근거반응 노트

참가 물질

3

반응물 2

HCID 670009725-bromo-N-(1,3-dihydroxy-2-methylpropan-2-yl)pyridine-3-sulfonamideHCID 866080343-Ethynyl-7-difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidine

생성물 1

HCID 118520285-[7-Difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-pyridine-3-sulfonic acid (2-hydroxy-1-hydroxymethyl-1-methyl-ethyl)-amide

출처 및 근거

ORD 기록
ord-5dbd0ec5fea841ffb812aa4dc0579228
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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