HRID92501

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=C(O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1

HCID161593

5-(4-Nitrophenyl)furan-2-carboxylic acid

C11H7NO5

HCID314220

4-AMINO-2,6-DI-TERT-BUTYLPHENOL

C14H23NO

HCID2824993

{4-[(tert-Butoxycarbonyl)amino]phenyl}acetic acid

C13H17NO4

PRODUCTS

生成物

结构：CC(C)(C)c1cc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc(C(C)(C)C)c1O

HCID21918768

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce568288c17d4df49fb33f3e138f1780
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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