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Acetonitrile → 3-(4-chlorophenyl)-4,5-dihydro-4-phenyl-1-[2-((3-(trifluoromethyl)phenyl)sulfonyl)ethyl]-1H-pyrazole

HRID 99861
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HRID 99861 반응식
[CH3:51][C:52]#[N:53].[CH:44]([O:45][CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:9][NH:10][CH2:11][CH:12]2[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:6][cH:7]1.[F:28][C:29]([c:30]1[cH:31][c:32]([S:36](=[O:37])(=[O:38])[CH2:39][CH2:40][Cl:41])[cH:33][cH:34][cH:35]1)([F:42])[F:43].[n:19]1[c:20]([CH3:21])[cH:22][c:23]([CH3:24])[cH:25][c:26]1[CH3:27]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:9][N:10]([CH2:40][CH2:39][S:36]([c:32]3[cH:31][c:30]([C:29]([F:28])([F:42])[F:43])[cH:35][cH:34][cH:33]3)(=[O:37])=[O:38])[CH2:11][CH:12]2[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:6][cH:7]1
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반응물 5

HCID 6342AcetonitrileHCID 7914Diisopropyl EtherHCID 79532,4,6-TrimethylpyridineHCID 27365062-Chloroethyl-[3-(trifluoromethyl)phenyl]sulphoneHCID 113688843-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazole

생성물 1

HCID 116846303-(4-chlorophenyl)-4,5-dihydro-4-phenyl-1-[2-((3-(trifluoromethyl)phenyl)sulfonyl)ethyl]-1H-pyrazole

출처 및 근거

ORD 기록
ord-0f0013bbe64e4129a87578a9bae97695
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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