HRID2320029

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID8028

Tetrahydrofuran

C4H8O

HCID30165

Iodide ion

I-

HCID166653

Hydride

H-

HCID1501912

4'-Bromomethyl-2-cyanobiphenyl

C14H10BrN

结构：CCOC(=O)c1cccc([N+](=O)[O-])c1NC(=O)OC(C)(C)C

HCID12018930

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cccc([N+](=O)[O-])c1NCc1ccc(-c2ccccc2C#N)cc1

HCID12018931

Ethyl 2-{[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]amino}-3-nitrobenzoate

C23H19N3O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e735603fc3ab441a95813e2d656fb2ee
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]([O:2][C:6](=[O:3])[NH:8][c:9]1[c:10]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[cH:16][cH:17][cH:18][c:19]1[N+:20](=[O:21])[O-:22])([CH3:4])([CH3:5])[CH3:7].[C:25](#[N:26])[c:27]1[c:28](-[c:33]2[cH:34][cH:35][c:36]([CH2:37][Br:38])[cH:39][cH:40]2)[cH:29][cH:30][cH:31][cH:32]1.[CH2:55]([Cl:56])[Cl:57].[H-:23].[I-:42].[K+:41].[Na+:24].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH:48][C:49]([C:50]([F:51])([F:52])[F:53])=[O:54]>>[CH2:6]([NH:8][c:9]1[c:10]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[cH:16][cH:17][cH:18][c:19]1[N+:20](=[O:21])[O-:22])[c:36]1[cH:35][cH:34][c:33](-[c:28]2[c:27]([C:25]#[N:26])[cH:32][cH:31][cH:30][cH:29]2)[cH:40][cH:39]1