HRID1557580

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7312

Diisopropylamine, N-(2-chloroethyl)-

C8H18ClN

HCID7901

Ethanamine, 2-chloro-N,N-dimethyl-

C4H10ClN

HCID12612210

未命名化合物

HCID12612211

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(CCC(C#N)(CCN(C)C)c1ccccc1Cl)C(C)C

HCID12612244

α-[2-[Bis(1-methylethyl)amino]ethyl]-2-chloro-α-[2-(dimethylamino)ethyl]benzeneacetonitrile

C20H32ClN3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec5a36094a5948b8b180fa05962debbe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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