HRID164898

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID2773552

4-Nitrophenylboronic acid

C6H6BNO4

HCID21092877

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)N2c3ccccc3C(Nc3ccc([N+](=O)[O-])cc3)CC2C)cc1

HCID68926190

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b18e34175b844078d4688576e893f3e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[N+:23](=[O:24])([O-:25])[c:26]1[cH:27][cH:28][c:29]([B:32]([OH:33])[OH:34])[cH:30][cH:31]1.[NH2:1][CH:2]1[CH2:3][CH:4]([CH3:22])[N:5]([C:12](=[O:13])[c:14]2[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]21.[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[cH:35]1[cH:36][cH:37][n:38][cH:39][cH:40]1>>[NH:1]([CH:2]1[CH2:3][CH:4]([CH3:22])[N:5]([C:12](=[O:13])[c:14]2[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]21)[c:29]1[cH:28][cH:27][c:26]([N+:23](=[O:24])[O-:25])[cH:31][cH:30]1