HRID687865

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

HCID97478

1-(4-Chlorophenyl)piperazine

C10H13ClN2

HCID10514345

未命名化合物

结构：CC(C)(C)OC(=O)N1CCN2c3ncc(CO)cc3NC(=O)C2C1

HCID58324441

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN2c3ncc(CN4CCN(c5ccc(Cl)cc5)CC4)cc3NC(=O)C2C1

HCID58324355

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c3340b4246d04c29bc5441e2f1915f5c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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