HRID1224571

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID996

Phenol

C6H6O

结构：O=C1c2c(O)ccc([N+](=O)[O-])c2C(=O)c2c(O)ccc([N+](=O)[O-])c21

HCID3090916

9,10-Anthracenedione, 1,5-dihydroxy-4,8-dinitro-

C14H6N2O8

结构：O=C1c2c(O)ccc([N+](=O)[O-])c2C(=O)c2c([N+](=O)[O-])ccc(O)c21

HCID3378440

1,8-Dihydroxy-4,5-dinitroanthraquinone

C14H6N2O8

PRODUCTS

生成物

结构：Nc1ccc(O)c2c1C(=O)c1c([N+](=O)[O-])ccc(O)c1C2=O

HCID5484079

1-Amino-4,5-dihydroxy-8-nitroanthraquinone

C14H8N2O6

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91ced9c8d7044d789d3d663142a4b27b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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