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

HRID 314571

반응식

HRID 314571 반응식
[Br:1][c:2]1[cH:3][c:4]([Cl:27])[c:5]([CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([OH:14])[c:15]2[cH:16][c:17]3[c:18]([n:19]([CH3:23])[c:20](=[O:22])[o:21]3)[cH:24][cH:25]2)[CH3:26])[cH:6][cH:7]1.[F:28][c:29]1[cH:30][c:31]([B:39]([OH:40])[OH:41])[cH:32][cH:33][c:34]1[C:35](=[O:36])[O:37][CH3:38]>>[c:2]1(-[c:31]2[cH:30][c:29]([F:28])[c:34]([C:35](=[O:36])[O:37][CH3:38])[cH:33][cH:32]2)[cH:3][c:4]([Cl:27])[c:5]([CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([OH:14])[c:15]2[cH:16][c:17]3[c:18]([n:19]([CH3:23])[c:20](=[O:22])[o:21]3)[cH:24][cH:25]2)[CH3:26])[cH:6][cH:7]1

참가 물질

3

반응물 2

HCID 27828183-Fluoro-4-(methoxycarbonyl)benzeneboronic acidHCID 666970116-[2-(4-Bromo-2-chloro-phenyl)-1-hydroxy-1-trifluoromethyl-propyl]-3-methyl-3H-benzooxazol-2-one

생성물 1

HCID 666971423'-Chloro-3-fluoro-4'-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(3-methyl-2-oxo-2,3-dihydro-benzooxazol-6-yl)-propyl]-biphenyl-4-carboxylic acid methyl ester

출처 및 근거

ORD 기록
ord-2f50f057a6934fb4a23e76ed4c0ebf2a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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