HRID201016

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7401

4-Methoxybenzenesulphonyl chloride

C7H7ClO3S

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(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1

HCID23513823

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ceb5d98a0bd3419cbe086bec50109b88
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:53]([Cl:54])[Cl:55].[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].[CH3:32][O:33][c:34]1[cH:35][cH:36][c:37]([S:40](=[O:41])(=[O:42])[Cl:43])[cH:38][cH:39]1.[CH3:44][N:45]([c:46]1[cH:47][cH:48][cH:49][cH:50][n:51]1)[CH3:52]>>[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]([S:40]([c:37]2[cH:36][cH:35][c:34]([O:33][CH3:32])[cH:39][cH:38]2)(=[O:41])=[O:42])[CH2:9][CH2:10]1