HRID158697

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8058

n-Hexane

C6H14

2 次

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID140867

Benzoyl chloride, 2,4-dimethyl-

C9H9ClO

HCID23285794

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)c2ccc(Cc3ccc([N+](=O)[O-])cc3)n2C)c(C)c1

HCID23285766

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92165e6360d040b4a3e53c956659e193
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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