2-Fluoro-4-(methoxycarbonyl)benzeneboronic acid → 3'-Chloro-2-fluoro-4'-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(4-methyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-propyl]-biphenyl-4-carboxylic acid methyl ester

HRID 948694노트

반응식

HRID 948694 반응식
[Br:1][c:2]1[cH:3][c:4]([Cl:28])[c:5]([CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([OH:14])[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:26]2)[N:20]([CH3:25])[C:21](=[O:24])[CH2:22][O:23]3)[CH3:27])[cH:6][cH:7]1.[F:29][c:30]1[c:31]([B:40]([OH:41])[OH:42])[cH:32][cH:33][c:34]([C:36](=[O:37])[O:38][CH3:39])[cH:35]1>>[c:2]1(-[c:31]2[c:30]([F:29])[cH:35][c:34]([C:36](=[O:37])[O:38][CH3:39])[cH:33][cH:32]2)[cH:3][c:4]([Cl:28])[c:5]([CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([OH:14])[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:26]2)[N:20]([CH3:25])[C:21](=[O:24])[CH2:22][O:23]3)[CH3:27])[cH:6][cH:7]1

참가 물질

3

반응물 2

HCID 248243452-Fluoro-4-(methoxycarbonyl)benzeneboronic acidHCID 666971866-[2-(4-Bromo-2-chloro-phenyl)-1-hydroxy-1-trifluoromethyl-propyl]-4-methyl-4H-benzo[1,4]oxazin-3-one

생성물 1

HCID 666972263'-Chloro-2-fluoro-4'-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(4-methyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-propyl]-biphenyl-4-carboxylic acid methyl ester

출처 및 근거

ORD 기록
ord-53ec94440125447193d0198884da1983
출처 데이터셋
Validation data from https://doi.org/10.1039/C8SC04228D

반응 노트

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