Boronic Acid → 1-Ethyl-4,4,6-trimethyl-7-(2-trifluoromethoxy-phenyl)-3,4-dihydro-1H-quinolin-2-one

HRID 161785

반응식

[BH:18]([OH:19])[OH:20].[Br:1][c:2]1[c:3]([CH3:17])[cH:4][c:5]2[c:10]([cH:11]1)[N:9]([CH2:12][CH3:13])[C:8](=[O:14])[CH2:7][C:6]2([CH3:15])[CH3:16].[F:21][C:22]([O:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)([F:30])[F:31]>>[c:2]1(-[c:25]2[c:24]([O:23][C:22]([F:21])([F:30])[F:31])[cH:29][cH:28][cH:27][cH:26]2)[c:3]([CH3:17])[cH:4][c:5]2[c:10]([cH:11]1)[N:9]([CH2:12][CH3:13])[C:8](=[O:14])[CH2:7][C:6]2([CH3:15])[CH3:16]

참가 물질

반응물 3

HCID 61668Boronic Acid

HCID 68010(Trifluoromethoxy)benzene

HCID 219664867-Bromo-1-ethyl-4,4,6-trimethyl-3,4-dihydro-1H-quinolin-2-one

생성물 1

HCID 686663931-Ethyl-4,4,6-trimethyl-7-(2-trifluoromethoxy-phenyl)-3,4-dihydro-1H-quinolin-2-one

출처 및 근거

ORD 기록: ord-79050e1802ce41e784328d0d4aed92f7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

연결된 노트

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