5-Bromo-N-tert-butylpyridine-3-sulfonamide → 5-[7-Trifluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-pyridine-3-sulfonic acid tert-butylamide

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].[C:26]([CH3:27])([CH3:28])([CH3:29])[NH:30][S:31](=[O:32])(=[O:33])[c:34]1[cH:35][n:36][cH:37][c:38]([Br:40])[cH:39]1>>[C:1](#[C:2][c:38]1[cH:37][n:36][cH:35][c:34]([S:31]([NH:30][C:26]([CH3:27])([CH3:28])[CH3:29])(=[O:32])=[O:33])[cH:39]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 물질

반응물 2

HCID 617949515-Bromo-N-tert-butylpyridine-3-sulfonamide

HCID 715397323-Ethynyl-7-trifluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidine

생성물 1

HCID 866080315-[7-Trifluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-pyridine-3-sulfonic acid tert-butylamide

출처 및 근거

ORD 기록: ord-038dfe9dd65e4cc09a62baf85c36e7c6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

반응 노트

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