HRID2138108

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID3283

Diethyl Ether

C4H10O

HCID81531

Diisopropylethylamine

C8H19N

HCID230976

4-Nitrophthalic anhydride

C8H3NO5

HCID408343

Diethyl 2-aminopentanedioate

C9H17NO4

PRODUCTS

生成物

结构：CCOC(=O)CCC(C(=O)OCC)N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O

HCID18363022

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e505cba6fa284726bfb5df343d05f22a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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