HRID2325237

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：CC(C)(C)OC(=O)NC1CCC(NC(=O)OCc2ccccc2)C(CO)C1

HCID68765915

未命名化合物

PRODUCTS

生成物

结构：CSCC1CC(NC(=O)OC(C)(C)C)CCC1NC(=O)OCc1ccccc1

HCID69287262

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-279ac991217044f68d3ef01f7eedeeef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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