HRID306613

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID27099

Copper(2+)

Cu+2

HCID81531

Diisopropylethylamine

C8H19N

HCID3851700

4-(2-Ethoxycarbonylethyl)phenylboronic acid

C11H15BO4

HCID54161410

3-(4-Nitrophenyl)pyridin-2(1H)-one

C11H8N2O3

PRODUCTS

生成物

结构：CCOC(=O)CCc1ccc(-n2cccc(-c3ccc([N+](=O)[O-])cc3)c2=O)cc1

HCID69300334

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-197ccddcf31b473c8a9a976678a875a0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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