HRID117517

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

HCID12612215

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(CCC(C#N)(CCN(C)C)c1ccc(F)cc1)C(C)C

HCID12612268

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b03744678774743867e7fcb90e6cced
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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: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].[F:1][c:2]1[cH:3][cH:4][c:5]([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:6][cH:7]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([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:6][cH:7]1