HRID1201179

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID8058

n-Hexane

C6H14

HCID30165

Iodide ion

I-

结构：CC(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1

HCID2723784

未命名化合物

HCID91454972

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CC(C)=Cc1cccc(CN(C)CC=CC#CC(C)(C)C)c1

HCID73447808

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2bdf9b8ff6845d1b7baaec5913bbc52
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

[CH2:24]([Li:25])[CH2:26][CH2:27][CH3:28].[CH3:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34].[CH3:35][C:36]([C:37]#[C:38][CH:39]=[CH:40][CH2:41][N:42]([CH3:43])[CH2:44][c:45]1[cH:46][c:47]([CH:48]=[O:49])[cH:50][cH:51][cH:52]1)([CH3:53])[CH3:54].[CH:2]([CH3:3])([CH3:4])[P+:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1.[I-:1].[cH:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1>>[C:2]([CH3:3])([CH3:4])=[CH:48][c:47]1[cH:46][c:45]([CH2:44][N:42]([CH2:41][CH:40]=[CH:39][C:38]#[C:37][C:36]([CH3:35])([CH3:53])[CH3:54])[CH3:43])[cH:52][cH:51][cH:50]1