Ethyl 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanecarboxylate → 5-(4'-(1-(Ethoxycarbonyl)cyclopropyl)biphenyl-4-yl)-3-methylisoxazole-4-carboxylic acid

반응식

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

참가 물질

반응물 2

HCID 53217182Ethyl 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanecarboxylate

HCID 566045595-(4-Bromophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid

생성물 1

HCID 666602775-(4'-(1-(Ethoxycarbonyl)cyclopropyl)biphenyl-4-yl)-3-methylisoxazole-4-carboxylic acid

출처 및 근거

ORD 기록: ord-753e495d896a4eeb8760cdaf37eddfc6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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