4-(3-Chloro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanal → 5-{[6-Chloro-4,4-dimethyl-2-hydroxy-5-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino}-8-fluoro-quinolin-2(1H)-one

반응식

[Cl:1][c:2]1[c:3]([O:20][CH3:21])[c:4]([C:8]([CH2:9][C:10]([CH:11]=[O:12])([C:13]([F:14])([F:15])[F:16])[OH:17])([CH3:18])[CH3:19])[cH:5][cH:6][cH:7]1.[NH2:22][c:23]1[c:24]2[cH:25][cH:26][c:27](=[O:34])[nH:28][c:29]2[c:30]([F:33])[cH:31][cH:32]1>>[Cl:1][c:2]1[c:3]([O:20][CH3:21])[c:4]2[c:5]([cH:6][cH:7]1)[CH:11]([NH:22][c:23]1[c:24]3[cH:25][cH:26][c:27](=[O:34])[nH:28][c:29]3[c:30]([F:33])[cH:31][cH:32]1)[C:10]([C:13]([F:14])([F:15])[F:16])([OH:17])[CH2:9][C:8]2([CH3:18])[CH3:19]

참가 물질

반응물 2

HCID 179891374-(3-Chloro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanal

HCID 179891895-amino-8-fluoroquinolin-2(1H)-one

생성물 1

HCID 686817075-{[6-Chloro-4,4-dimethyl-2-hydroxy-5-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino}-8-fluoro-quinolin-2(1H)-one

출처 및 근거

ORD 기록: ord-ea9f04c156d84aabac366e33d264d0c7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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