Triphenylphosphine → 3-{4-[3,3-Bis-(4-bromo-phenyl)-allyloxy]-phenyl}-2-ethoxy-propionic acid ethyl ester

반응식

[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[CH:9][CH2:10][OH:11])[c:12]2[cH:13][cH:14][c:15]([Br:18])[cH:16][cH:17]2)[cH:6][cH:7]1.[CH2:38]([CH3:39])[O:40][C:41]([CH:42]([CH2:43][c:44]1[cH:45][cH:46][c:47]([OH:50])[cH:48][cH:49]1)[O:51][CH2:52][CH3:53])=[O:54].[c:19]1([P:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[CH:9][CH2:10][O:11][c:47]2[cH:46][cH:45][c:44]([CH2:43][CH:42]([C:41]([O:40][CH2:38][CH3:39])=[O:54])[O:51][CH2:52][CH3:53])[cH:49][cH:48]2)[c:12]2[cH:13][cH:14][c:15]([Br:18])[cH:16][cH:17]2)[cH:6][cH:7]1

참가 물질

반응물 3

HCID 11776Triphenylphosphine

HCID 11791243Ethyl 2-ethoxy-3-(4-hydroxyphenyl)propanoate

HCID 222703043,3-Bis-(4-bromophenyl)prop-2-en-1-ol

생성물 1

HCID 541884073-{4-[3,3-Bis-(4-bromo-phenyl)-allyloxy]-phenyl}-2-ethoxy-propionic acid ethyl ester

출처 및 근거

ORD 기록: ord-4fba530bc1a94dcd83f9fcdd128283c6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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