2-(2,4-Difluorobenzyloxy)-5-trifluoromethylphenylboronic acid → 3-{2-[5-Trifluoromethyl-2-(2,4-difluorobenzyloxy)phenyl]cyclopent-1-enyl)-6-aminobenzoic Acid Ethyl Ester

반응식

[CH2:24]([CH3:25])[O:26][C:27]([c:28]1[cH:29][c:30]([C:35]2=[C:36]([Br:40])[CH2:37][CH2:38][CH2:39]2)[cH:31][cH:32][c:33]1[NH2:34])=[O:41].[F:1][c:2]1[c:3]([CH2:4][O:5][c:6]2[c:7]([B:16]([OH:17])[OH:18])[cH:8][c:9]([C:12]([F:13])([F:14])[F:15])[cH:10][cH:11]2)[cH:19][cH:20][c:21]([F:23])[cH:22]1>>[F:1][c:2]1[c:3]([CH2:4][O:5][c:6]2[c:7]([C:36]3=[C:35]([c:30]4[cH:29][c:28]([C:27]([O:26][CH2:24][CH3:25])=[O:41])[c:33]([NH2:34])[cH:32][cH:31]4)[CH2:39][CH2:38][CH2:37]3)[cH:8][c:9]([C:12]([F:13])([F:14])[F:15])[cH:10][cH:11]2)[cH:19][cH:20][c:21]([F:23])[cH:22]1

참가 물질

반응물 2

HCID 211129052-(2,4-Difluorobenzyloxy)-5-trifluoromethylphenylboronic acid

HCID 695077973-(2-Bromocyclopent-1-enyl)-6-aminobenzoic acid ethyl ester

생성물 1

HCID 695076623-{2-[5-Trifluoromethyl-2-(2,4-difluorobenzyloxy)phenyl]cyclopent-1-enyl)-6-aminobenzoic Acid Ethyl Ester

출처 및 근거

ORD 기록: ord-a1fb55448e4241169a15871f65b3011a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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