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Chloride → 5-(5-Fluoro-2-methoxyphenyl)-5-methyl-2-(2-methylquinolin-5-ylimino)-3-(trifluoromethyl)hexan-3-ol

HRID 2350769
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인쇄 미리보기

반응식

HRID 2350769 반응식
[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[Cl-:35].[F:1][c:2]1[cH:3][cH:4][c:5]([O:21][CH3:22])[c:6]([C:8]([CH2:9][C:10]([C:11]([CH3:12])=[O:13])([C:14]([F:15])([F:16])[F:17])[OH:18])([CH3:19])[CH3:20])[cH:7]1.[NH2:23][c:24]1[c:25]2[cH:26][cH:27][c:28]([CH3:34])[n:29][c:30]2[cH:31][cH:32][cH:33]1.[Na+:36].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:21][CH3:22])[c:6]([C:8]([CH2:9][C:10]([C:11]([CH3:12])=[N:23][c:24]2[c:25]3[cH:26][cH:27][c:28]([CH3:34])[n:29][c:30]3[cH:31][cH:32][cH:33]2)([C:14]([F:15])([F:16])[F:17])[OH:18])([CH3:19])[CH3:20])[cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 312ChlorideHCID 923Sodium IonHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 1486835-Quinolinamine, 2-methyl-HCID 219488285-(5-Fluoro-2-methoxyphenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexan-2-one

생성물 1

HCID 21948924
5-(5-Fluoro-2-methoxyphenyl)-5-methyl-2-(2-methylquinolin-5-ylimino)-3-(trifluoromethyl)hexan-3-ol

출처 및 근거

ORD 기록
ord-c7fe4a7f914b47dd96d7fb1e490a315e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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