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Dimethyl Sulfoxide → 1-[4-(5-Fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-trifluoromethylpentyl]-1,2-dihydroindazol-3-one

HRID 287786
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HRID 287786 반응식
[CH3:31][Si:32]([N-:33][Si:34]([CH3:35])([CH3:36])[CH3:37])([CH3:38])[CH3:39].[CH3:41][S:42]([CH3:43])=[O:44].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[F:1][c:2]1[cH:3][cH:4][c:5]([O:19][CH3:20])[c:6]([C:8]([CH2:9][C:10]2([C:13]([F:14])([F:15])[F:16])[O:11][CH2:12]2)([CH3:17])[CH3:18])[cH:7]1.[Na+:40].[nH:21]1[nH:22][c:23](=[O:30])[c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]12>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:19][CH3:20])[c:6]([C:8]([CH2:9][C:10]([OH:11])([CH2:12][n:21]2[nH:22][c:23](=[O:30])[c:24]3[cH:25][cH:26][cH:27][cH:28][c:29]23)[C:13]([F:14])([F:15])[F:16])([CH3:17])[CH3:18])[cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 679Dimethyl SulfoxideHCID 923Sodium IonHCID 8857Ethyl AcetateHCID 81829IndazolinoneHCID 3280088Npc316347HCID 160992392-[2-(5-Fluoro-2-methoxyphenyl)-2-methylpropyl]-2-trifluoromethyloxirane

생성물 1

HCID 10432582
1-[4-(5-Fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-trifluoromethylpentyl]-1,2-dihydroindazol-3-one

출처 및 근거

ORD 기록
ord-b0d71e5dfa3543ac865edc914167c53b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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