3-(Ethoxycarbonyl)-4-fluorophenylboronic Acid (contains varying amounts of Anhydride) → 3'-Chloro-4-fluoro-4'-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(3-methyl-2-oxo-2,3-dihydro-benzooxazol-6-yl)-propyl]-biphenyl-3-carboxylic acid ethyl ester

HRID 672605

반응식

HRID 672605 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[c:30]([C:38](=[O:39])[O:40][CH2:41][CH3:42])[cH:31][c:32]([B:35]([OH:36])[OH:37])[cH:33][cH:34]1>>[c:2]1(-[c:32]2[cH:31][c:30]([C:38](=[O:39])[O:40][CH2:41][CH3:42])[c:29]([F:28])[cH:34][cH:33]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 249017713-(Ethoxycarbonyl)-4-fluorophenylboronic Acid (contains varying amounts of Anhydride)HCID 666970116-[2-(4-Bromo-2-chloro-phenyl)-1-hydroxy-1-trifluoromethyl-propyl]-3-methyl-3H-benzooxazol-2-one

생성물 1

HCID 666971263'-Chloro-4-fluoro-4'-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(3-methyl-2-oxo-2,3-dihydro-benzooxazol-6-yl)-propyl]-biphenyl-3-carboxylic acid ethyl ester

출처 및 근거

ORD 기록
ord-d4581b3fd99946e2a50c342f6056df82
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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