HRID1562280

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7901

Ethanamine, 2-chloro-N,N-dimethyl-

C4H10ClN

HCID19660

Carbonate

CO3-2

结构：COc1cc2nc(-c3cccc([N+](=O)[O-])c3)nc(Nc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c2cc1O

HCID66826305

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nc(-c3cccc([N+](=O)[O-])c3)nc(Nc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c2cc1OCCN(C)C

HCID66826179

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-890d72a6c8744ebb8bb90529adc330d1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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