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Acetic Acid → 5-[4-(5-Fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-trifluoromethylpentylidenamino]quinoline-2-carboxylic acid amide

HRID 95714
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인쇄 미리보기

반응식

HRID 95714 반응식
[CH3:36][C:37](=[O:38])[OH:39].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[F:15][c:16]1[cH:17][cH:18][c:19]([O:34][CH3:35])[c:20]([C:22]([CH2:23][C:24]([CH:25]=[O:26])([C:27]([F:28])([F:29])[F:30])[OH:31])([CH3:32])[CH3:33])[cH:21]1.[NH2:1][c:2]1[c:3]2[cH:4][cH:5][c:6]([C:12](=[O:13])[NH2:14])[n:7][c:8]2[cH:9][cH:10][cH:11]1.[OH2:40]>>[N:1]([c:2]1[c:3]2[cH:4][cH:5][c:6]([C:12](=[O:13])[NH2:14])[n:7][c:8]2[cH:9][cH:10][cH:11]1)=[CH:25][C:24]([CH2:23][C:22]([c:20]1[c:19]([O:34][CH3:35])[cH:18][cH:17][c:16]([F:15])[cH:21]1)([CH3:32])[CH3:33])([C:27]([F:28])([F:29])[F:30])[OH:31]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 176Acetic AcidHCID 962WaterHCID 1140TolueneHCID 115731224-(5-Fluoro-2-methoxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanalHCID 692036145-Aminoquinoline-2-carboxylic acid amide

생성물 1

HCID 692028825-[4-(5-Fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-trifluoromethylpentylidenamino]quinoline-2-carboxylic acid amide

출처 및 근거

ORD 기록
ord-db3adf68816841319b3d037b521a1375
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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