Toluene → {[3-(3,4-Dichlorophenyl)-3-buten-1-yl]oxy}(1,1-dimethylethyl)diphenylsilane

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 27343303,4-Dichlorobenzeneboronic acid

HCID 11784074[(3-Bromo-3-buten-1-yl)oxy](1,1-dimethylethyl)diphenylsilane

생성물 1

HCID 59255999{[3-(3,4-Dichlorophenyl)-3-buten-1-yl]oxy}(1,1-dimethylethyl)diphenylsilane

출처 및 근거

ORD 기록: ord-a7a343df3a1049c29629fc28d93e3a72
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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