HRID2347830

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID7416

Nitrobenzene

C6H5NO2

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID61668

Boronic acid

H3BO2

HCID5359268

Aluminum

HCID21865645

未命名化合物

PRODUCTS

生成物

结构：Nc1ccc(Cc2ccncc2)cc1-c1cccc([N+](=O)[O-])c1

HCID54509567

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d149dbc4e9634ac88edbcd02afc8d5ad
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

[Al:36].[BH:16]([OH:17])[OH:18].[C:30](=[O:31])([O-:32])[O-:33].[CH3:28][OH:29].[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[CH3:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[N+:19](=[O:20])([O-:21])[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[NH2:1][c:2]1[c:3]([Br:15])[cH:4][c:5]([CH2:6][c:7]2[cH:8][cH:9][n:10][cH:11][cH:12]2)[cH:13][cH:14]1.[Na+:34].[Na+:35].[cH:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[NH2:1][c:2]1[c:3](-[c:26]2[cH:25][cH:24][cH:23][c:22]([N+:19](=[O:20])[O-:21])[cH:27]2)[cH:4][c:5]([CH2:6][c:7]2[cH:8][cH:9][n:10][cH:11][cH:12]2)[cH:13][cH:14]1