HRID305871

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID30165

Iodide ion

I-

HCID167070

2-Chloro-1-methylpyridinium

C6H7ClN+

结构：CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CC(=O)c2ccc(Cl)cc2)CC1

HCID22628203

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C#Cc2ccc(Cl)cc2)CC1

HCID22628062

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-375e6732bd5242fd965e75f18b04f79d
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

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