Ethyl (4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate → {4'-[3-Methyl-4-(1-phenyl-ethoxycarbonylamino)-isoxazol-5-yl]-biphenyl-4-yl}-acetic acid ethyl ester

반응식

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

참가 물질

반응물 2

HCID 46737998Ethyl (4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate

HCID 66660478[5-(4-Bromo-phenyl)-3-methyl-isoxazol-4-yl]-carbamic acid 1-phenyl-ethyl ester

생성물 1

HCID 67351655{4'-[3-Methyl-4-(1-phenyl-ethoxycarbonylamino)-isoxazol-5-yl]-biphenyl-4-yl}-acetic acid ethyl ester

출처 및 근거

ORD 기록: ord-e0ff7de39193485baa3e6a9af8ac7b22
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…