Phenylboronic Acid → 4-{2-(2-Ethoxycarbonyl-ethyl)-3-[6-(5-thiophen-3-yl-biphenyl-3-yloxy)-hexyl]-phenoxy}-butyric acid ethyl ester

반응식

[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH2:6][CH2:7][O:8][c:9]1[c:10]([CH2:34][CH2:35][C:36](=[O:37])[O:38][CH2:39][CH3:40])[c:11]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][O:21][c:22]2[cH:23][c:24]([I:33])[cH:25][c:26](-[c:28]3[cH:29][s:30][cH:31][cH:32]3)[cH:27]2)[cH:12][cH:13][cH:14]1)=[O:41].[OH:42][B:43]([OH:44])[c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH2:6][CH2:7][O:8][c:9]1[c:10]([CH2:34][CH2:35][C:36](=[O:37])[O:38][CH2:39][CH3:40])[c:11]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][O:21][c:22]2[cH:23][c:24](-[c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[cH:25][c:26](-[c:28]3[cH:29][s:30][cH:31][cH:32]3)[cH:27]2)[cH:12][cH:13][cH:14]1)=[O:41]

참가 물질

반응물 2

HCID 66827Phenylboronic Acid

HCID 575865384-{3-[6-(3-Iodo-5-thiophen-3-yl-phenoxy)-hexyl]-2-(2-ethoxycarbonyl-ethyl)-phenoxy}-butyric acid ethyl ester

생성물 1

HCID 575864454-{2-(2-Ethoxycarbonyl-ethyl)-3-[6-(5-thiophen-3-yl-biphenyl-3-yloxy)-hexyl]-phenoxy}-butyric acid ethyl ester

출처 및 근거

ORD 기록: ord-f129c6e4ad2f44e5a4adf4bc6dec31c4
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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