8-Aminoquinoline → 1-(Quinolin-8-ylamino)-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentan-2-ol

반응식

[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.[NH2:21][c:22]1[cH:23][cH:24][cH:25][c:26]2[cH:27][cH:28][cH:29][n:30][c:31]12.[NH:32]1[CH2:33][CH2:34][CH2:35][NH:36][C:37]1=[O:38]>>[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][NH:21][c:22]2[cH:23][cH:24][cH:25][c:26]3[cH:27][cH:28][cH:29][n:30][c:31]23)[C:13]([F:14])([F:15])[F:16])([CH3:17])[CH3:18])[cH:7]1

참가 물질

반응물 3

HCID 113598-Aminoquinoline

HCID 746152(1H)-Pyrimidinone, tetrahydro-

HCID 160992392-[2-(5-Fluoro-2-methoxyphenyl)-2-methylpropyl]-2-trifluoromethyloxirane

생성물 1

HCID 219488611-(Quinolin-8-ylamino)-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentan-2-ol

출처 및 근거

ORD 기록: ord-81db497e82bb4330832fe3d2d4212428
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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