查数据/反应详情

HRID1230461

反应详情

EQUATION

反应方程式

HRID 1230461 的结构方程式

REACTANTS

反应物

2

结构：C#Cc1ccc(C(C)(C)C)cc1

4-tert-Butylphenylacetylene

C12H14

结构：CC(C)CCC(C)(C)c1ccc(C#C[Si](C)(C)C)cc1

未命名化合物

PRODUCTS

生成物

1

结构：C=Cc1ccc(C(C)(C)CCC(C)C)cc1

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc6a178580ec40a3baa932f08157f8d3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([c:2]1[cH:3][cH:4][c:5]([C:6]#[CH:7])[cH:8][cH:9]1)([CH3:10])([CH3:11])[CH3:12].[CH3:13][Si:14]([CH3:15])([CH3:16])[C:17]#[C:18][c:19]1[cH:20][cH:21][c:22]([C:25]([CH2:26][CH2:27][CH:28]([CH3:29])[CH3:30])([CH3:31])[CH3:32])[cH:23][cH:24]1>>[CH2:17]=[CH:18][c:19]1[cH:20][cH:21][c:22]([C:25]([CH2:26][CH2:27][CH:28]([CH3:29])[CH3:30])([CH3:31])[CH3:32])[cH:23][cH:24]1

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