HRID92957

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID6397

Chlorotrimethylsilane

C3H9ClSi

HCID8857

Ethyl acetate

C4H8O2

HCID30165

Iodide ion

I-

结构：CC(c1ccccc1)C(C(=O)Nc1ccc(Br)cc1Cl)N1C(=O)NC(c2ccc(OCCOC(C)(C)C)cc2)C1=O

HCID68619472

未命名化合物

PRODUCTS

生成物

结构：CC(c1ccccc1)C(C(=O)Nc1ccc(Br)cc1Cl)N1C(=O)NC(c2ccc(OCCO)cc2)C1=O

HCID68620084

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9c11652732e447f93939de02104d61d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([Cl:41])[c:5]([NH:8][C:9]([CH:10]([CH:11]([CH3:12])[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[N:19]2[C:20](=[O:39])[NH:21][CH:22]([c:25]3[cH:26][cH:27][c:28]([O:31][CH2:32][CH2:33][O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[cH:29][cH:30]3)[C:23]2=[O:24])=[O:40])[cH:6][cH:7]1.[CH3:42][C:43]#[N:44].[CH3:45][Si:46]([Cl:47])([CH3:48])[CH3:49].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cl:52][CH2:53][Cl:54].[I-:51].[Na+:50]>>[Br:1][c:2]1[cH:3][c:4]([Cl:41])[c:5]([NH:8][C:9]([CH:10]([CH:11]([CH3:12])[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[N:19]2[C:20](=[O:39])[NH:21][CH:22]([c:25]3[cH:26][cH:27][c:28]([O:31][CH2:32][CH2:33][OH:34])[cH:29][cH:30]3)[C:23]2=[O:24])=[O:40])[cH:6][cH:7]1