HRID666449

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID27099

Copper(2+)

Cu+2

HCID58579857

未命名化合物

HCID58579863

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-n2ncc(SCc3ccc(Cl)cc3)cc2=O)ccc1OCC(C)(C)O

HCID46927290

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d605b7c86ae346fd9788a44a0d21fb87
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:46]([O-:47])(=[O:48])[CH3:49].[C:51]([O-:52])(=[O:53])[CH3:54].[CH3:44][OH:45].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][S:7][c:8]2[cH:9][c:10](=[O:14])[nH:11][n:12][cH:13]2)[cH:15][cH:16]1.[Cl:41][CH2:42][Cl:43].[ClH:40].[Cu+2:50].[OH:17][C:18]([CH2:19][O:20][c:21]1[c:22]([O:30][CH3:31])[cH:23][c:24]([B:27]([OH:28])[OH:29])[cH:25][cH:26]1)([CH3:32])[CH3:33].[cH:34]1[cH:35][cH:36][n:37][cH:38][cH:39]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][S:7][c:8]2[cH:9][c:10](=[O:14])[n:11](-[c:24]3[cH:23][c:22]([O:30][CH3:31])[c:21]([O:20][CH2:19][C:18]([OH:17])([CH3:32])[CH3:33])[cH:26][cH:25]3)[n:12][cH:13]2)[cH:15][cH:16]1