HRID2144537

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID7854

Propionitrile

C3H5N

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

HCID1203613

4-(4-chlorophenyl)piperidine

C11H14ClN

HCID10514345

未命名化合物

HCID58324436

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CC(=O)Nc2cc(CN3CCC(c4ccc(Cl)cc4)CC3)cnc21

HCID46864481

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-18a4db199d294a9da0bfa3b575f7f85c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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