HRID313072

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID78370

4-Chlorobutyryl chloride

C4H6Cl2O

结构：CCOC(OCC)C(CC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(N)cc1OCc1ccccc1

HCID69692494

未命名化合物

PRODUCTS

生成物

结构：CCOC(OCC)C(CC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(NC(=O)CCCCl)cc1OCc1ccccc1

HCID69692701

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5f1325866284c93bb418b3d3b617116
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]([CH2:7][CH:8]([CH:9]([O:10][CH2:11][CH3:12])[O:13][CH2:14][CH3:15])[NH:16][S:17](=[O:18])(=[O:19])[c:20]1[c:21]([O:27][CH2:28][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:22][c:23]([NH2:26])[cH:24][cH:25]1)=[O:35].[CH2:50]([Cl:51])[Cl:52].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[Cl:43][CH2:44][CH2:45][CH2:46][C:47](=[O:48])[Cl:49]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH:8]([CH:9]([O:10][CH2:11][CH3:12])[O:13][CH2:14][CH3:15])[NH:16][S:17](=[O:18])(=[O:19])[c:20]1[c:21]([O:27][CH2:28][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:22][c:23]([NH:26][C:47]([CH2:46][CH2:45][CH2:44][Cl:43])=[O:48])[cH:24][cH:25]1)=[O:35]