HRID1560052

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8019

2-Methoxyethanol

C3H8O2

结构：O=C1c2ccccc2C(=O)c2c1ccc([N+](=O)[O-])c2[N+](=O)[O-]

HCID42596

1,2-Dinitro-9,10-anthracenedione

C14H6N2O6

HCID69861

4-tert-Butylaniline

C10H15N

结构：O=C1c2cc([N+](=O)[O-])ccc2C(=O)c2c1cccc2[N+](=O)[O-]

HCID74146

1,6-Dinitroanthraquinone

C14H6N2O6

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(Nc2cccc3c2C(=O)c2ccc([N+](=O)[O-])cc2C3=O)cc1

HCID20316488

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d6542095c594fee8966cef3f99f9894
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

[C:23]([CH3:24])([CH3:25])([CH3:26])[c:27]1[cH:28][cH:29][c:30]([NH2:31])[cH:32][cH:33]1.[CH3:56][O:57][CH2:58][CH2:59][OH:60].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][cH:7][c:8]2[c:17]1[C:16](=[O:18])[c:15]1[c:10]([cH:11][c:12]([N+:19](=[O:20])[O-:21])[cH:13][cH:14]1)[C:9]2=[O:22].[N+:34]([c:35]1[cH:36][cH:37][c:38]2[c:49]([c:50]1[N+:51]([O-:52])=[O:53])[C:47](=[O:48])[c:42]1[c:41]([cH:46][cH:45][cH:44][cH:43]1)[C:39]2=[O:40])([O-:54])=[O:55]>>[NH:1]([c:4]1[cH:5][cH:6][cH:7][c:8]2[c:17]1[C:16](=[O:18])[c:15]1[c:10]([cH:11][c:12]([N+:19](=[O:20])[O-:21])[cH:13][cH:14]1)[C:9]2=[O:22])[c:30]1[cH:29][cH:28][c:27]([C:23]([CH3:24])([CH3:25])[CH3:26])[cH:33][cH:32]1