HRID302146

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6367

Acetyl chloride

C2H3ClO

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(C)=O)CC2)cc1

HCID15503644

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8bbb58f331547d39dd2c2b8e11970dd
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

[CH2:45]([Cl:46])[Cl:47].[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][C:33]([Cl:34])=[O:35].[CH3:36][N:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][n:43]1)[CH3:44]>>[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:33]([CH3:32])=[O:35])[CH2:9][CH2:10]1