HRID311033

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

HCID167070

2-Chloro-1-methylpyridinium

C6H7ClN+

HCID13835614

未命名化合物

HCID22063143

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=NC(C)=O)NC(CC2CCCCC2)C(=O)NC2(C#N)CCN(C)CC2)cc1

HCID178491113

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-155f9dfc82094fc3848ef79159977ddb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:10][O:11][c:12]1[cH:13][cH:14][c:15]([C:16](=[S:17])[NH:18][C:19]([CH3:20])=[O:21])[cH:22][cH:23]1.[CH:47]([N:48]([CH2:49][CH3:50])[CH:51]([CH3:52])[CH3:53])([CH3:54])[CH3:55].[Cl:2][c:3]1[cH:4][cH:5][cH:6][cH:7][n+:8]1[CH3:9].[Cl:56][CH2:57][Cl:58].[ClH:24].[ClH:25].[I-:1].[NH2:26][CH:27]([C:28](=[O:29])[NH:30][C:31]1([C:38]#[N:39])[CH2:32][CH2:33][N:34]([CH3:37])[CH2:35][CH2:36]1)[CH2:40][CH:41]1[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1>>[CH3:10][O:11][c:12]1[cH:13][cH:14][c:15]([C:16](=[N:18][C:19]([CH3:20])=[O:21])[NH:26][CH:27]([C:28](=[O:29])[NH:30][C:31]2([C:38]#[N:39])[CH2:32][CH2:33][N:34]([CH3:37])[CH2:35][CH2:36]2)[CH2:40][CH:41]2[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]2)[cH:22][cH:23]1