Ethyl 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanecarboxylate → 1-[4'-(4-Benzyloxycarbonylmethyl-3-methyl-isoxazol-5-yl)-biphenyl-4-yl]-cyclopropanecarboxylic acid ethyl ester

반응식

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH2:10][c:11]1[c:12]([CH3:23])[n:13][o:14][c:15]1-[c:16]1[cH:17][cH:18][c:19]([Br:22])[cH:20][cH:21]1)=[O:24].[CH2:25]([CH3:26])[O:27][C:28](=[O:29])[C:30]1([c:33]2[cH:34][cH:35][c:36]([B:39]3[O:40][C:41]([CH3:42])([CH3:43])[C:44]([CH3:45])([CH3:46])[O:47]3)[cH:37][cH:38]2)[CH2:31][CH2:32]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH2:10][c:11]1[c:12]([CH3:23])[n:13][o:14][c:15]1-[c:16]1[cH:17][cH:18][c:19](-[c:36]2[cH:35][cH:34][c:33]([C:30]3([C:28]([O:27][CH2:25][CH3:26])=[O:29])[CH2:31][CH2:32]3)[cH:38][cH:37]2)[cH:20][cH:21]1)=[O:24]

참가 물질

반응물 2

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

HCID 66577402[5-(4-Bromo-phenyl)-3-methyl-isoxazol-4-yl]acetic acid benzyl ester

생성물 1

HCID 665772441-[4'-(4-Benzyloxycarbonylmethyl-3-methyl-isoxazol-5-yl)-biphenyl-4-yl]-cyclopropanecarboxylic acid ethyl ester

출처 및 근거

ORD 기록: ord-066fcb311c4e4b1eb84a4d77ff991bb2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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