5-Bromo-thiophene-2-sulfonic acid bis-(2-hydroxy-ethyl)-amide → 5-[7-Difluoromethyl-5-(3-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiophene-2-sulfonic acid bis-(2-hydroxy-ethyl)-amide

반응식

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

참가 물질

반응물 2

HCID 612345545-Bromo-thiophene-2-sulfonic acid bis-(2-hydroxy-ethyl)-amide

HCID 866080813-Ethynyl-7-difluoromethyl-5-(3-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidine

생성물 1

HCID 670012135-[7-Difluoromethyl-5-(3-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiophene-2-sulfonic acid bis-(2-hydroxy-ethyl)-amide

출처 및 근거

ORD 기록: ord-991a8c6f073347dba19a01b1170874eb
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

반응 노트

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