HRID1548902

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID7412

Benzoyl chloride

C7H5ClO

HCID8471

Triethylamine

C6H15N

HCID21885

2-Dimethylaminopyridine

C7H10N2

结构：CC#CCOc1ccc(S(=O)(=O)C2(C(=O)OC)CCNCC2)cc1

HCID54136994

未命名化合物

PRODUCTS

生成物

结构：CC#CCOc1ccc(S(=O)(=O)C2(C(=O)OC)CCN(C(=O)c3ccccc3)CC2)cc1

HCID54444381

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-adac27d275d948d49f6f16bd3b9775ae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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