HRID198321

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

HCID314992

5-(methoxycarbonyl)pyridine-2-carboxylic acid

C8H7NO4

HCID3778834

1-(3-nitropyridin-2-yl)piperazine

C9H12N4O2

PRODUCTS

生成物

结构：COC(=O)c1ccc(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)nc1

HCID10861609

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a848dfd04727438ebbc083f7f87c7221
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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