(4-Fluoro-3-methoxyphenyl)boronic acid → 6-[2-(3-Chloro-4'-fluoro-3'-methoxy-biphenyl-4-yl)-1-hydroxy-1-trifluoromethyl-propyl]-8-fluoro-4-methyl-4H-benzo[1,4]oxazin-3-one

HRID 185004

반응식

HRID 185004 반응식
[Br:1][c:2]1[cH:3][c:4]([Cl:29])[c:5]([CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([OH:14])[c:15]2[cH:16][c:17]([F:27])[c:18]3[c:19]([cH:26]2)[N:20]([CH3:25])[C:21](=[O:24])[CH2:22][O:23]3)[CH3:28])[cH:6][cH:7]1.[F:30][c:31]1[c:32]([O:40][CH3:41])[cH:33][c:34]([B:37]([OH:38])[OH:39])[cH:35][cH:36]1>>[c:2]1(-[c:34]2[cH:33][c:32]([O:40][CH3:41])[c:31]([F:30])[cH:36][cH:35]2)[cH:3][c:4]([Cl:29])[c:5]([CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([OH:14])[c:15]2[cH:16][c:17]([F:27])[c:18]3[c:19]([cH:26]2)[N:20]([CH3:25])[C:21](=[O:24])[CH2:22][O:23]3)[CH3:28])[cH:6][cH:7]1

참가 물질

3

반응물 2

HCID 44558185(4-Fluoro-3-methoxyphenyl)boronic acidHCID 866458686-[2-(4-bromo-2-chloro-phenyl)-1-hydroxy-1-trifluoromethyl-propyl]-8-fluoro-4-methyl-4H-benzo[1,4]oxazin-3-one

생성물 1

HCID 866458696-[2-(3-Chloro-4'-fluoro-3'-methoxy-biphenyl-4-yl)-1-hydroxy-1-trifluoromethyl-propyl]-8-fluoro-4-methyl-4H-benzo[1,4]oxazin-3-one

출처 및 근거

ORD 기록
ord-aa27e14770584c65a01b8e9f05aa9adc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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