HRID2340837

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：CCOC(=O)C(Cc1ccc(OCCc2ccc(N)cc2)cc1)OCC

HCID53920635

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(Cc1ccc(OCCc2ccc(NS(C)(=O)=O)cc2)cc1)OCC

HCID54054669

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-802026c3f6de4873914b1508ab779ab1
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

[CH2:13]([CH3:14])[O:15][C:16]([CH:17]([CH2:18][c:19]1[cH:20][cH:21][c:22]([O:25][CH2:26][CH2:27][c:28]2[cH:29][cH:30][c:31]([NH2:34])[cH:32][cH:33]2)[cH:23][cH:24]1)[O:35][CH2:36][CH3:37])=[O:38].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:8][S:9]([Cl:10])(=[O:11])=[O:12].[Cl:40][CH2:41][Cl:42].[ClH:39]>>[CH3:8][S:9](=[O:11])(=[O:12])[NH:34][c:31]1[cH:30][cH:29][c:28]([CH2:27][CH2:26][O:25][c:22]2[cH:21][cH:20][c:19]([CH2:18][CH:17]([C:16]([O:15][CH2:13][CH3:14])=[O:38])[O:35][CH2:36][CH3:37])[cH:24][cH:23]2)[cH:33][cH:32]1