3-Iodo-7-(trifluoromethyl)-5-(4-(trifluoromethyl)phenyl)pyrazolo[1,5-a]pyrimidine → 2-(4-[7-Trifluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-phenyl}-propan-2-ol

반응식

[C:25](#[CH:26])[c:27]1[cH:28][cH:29][c:30]([C:33]([CH3:34])([CH3:35])[OH:36])[cH:31][cH:32]1.[I:1][c:2]1[cH:3][n:4][n:5]2[c:6]1[n:7][c:8](-[c:15]1[cH:16][cH:17][c:18]([C:21]([F:22])([F:23])[F:24])[cH:19][cH:20]1)[cH:9][c:10]2[C:11]([F:12])([F:13])[F:14]>>[c:2]1([C:26]#[C:25][c:27]2[cH:28][cH:29][c:30]([C:33]([CH3:34])([CH3:35])[OH:36])[cH:31][cH:32]2)[cH:3][n:4][n:5]2[c:6]1[n:7][c:8](-[c:15]1[cH:16][cH:17][c:18]([C:21]([F:22])([F:23])[F:24])[cH:19][cH:20]1)[cH:9][c:10]2[C:11]([F:12])([F:13])[F:14]

참가 물질

반응물 2

HCID 715397303-Iodo-7-(trifluoromethyl)-5-(4-(trifluoromethyl)phenyl)pyrazolo[1,5-a]pyrimidine

HCID 730124462-(4-Ethynylphenyl)propan-2-ol

생성물 1

HCID 118524192-(4-[7-Trifluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-phenyl}-propan-2-ol

출처 및 근거

ORD 기록: ord-9fce30e0e2e349a5a9520272695d6f60
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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