HRID1141056

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID8058

n-Hexane

C6H14

HCID74506

Triphenylmethylphosphonium

C19H18P+

结构：CC(=O)c1cccc(CN(CC=CC#CC(C)(C)C)C2CC2)c1

HCID91490410

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：C=C(C)c1cccc(CN(CC=CC#CC(C)(C)C)C2CC2)c1

HCID73447793

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c6da54916e2467b9fcf1a188ed90545
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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