查数据/反应详情

HRID1233978

反应详情

EQUATION

反应方程式

HRID 1233978 的结构方程式

REACTANTS

反应物

2

结构：CCCNCCC

Dipropylamine

C6H15N

结构：O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Cl

4-Chloro-3,5-dinitrobenzotrifluoride

C7H2ClF3N2O4

PRODUCTS

生成物

1

结构：CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]

Trifluralin

C13H16F3N3O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc8fe1836d25494db442d904069932c1
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

[CH2:18]([CH2:19][CH3:20])[NH:21][CH2:22][CH2:23][CH3:24].[Cl:1][c:2]1[c:3]([N+:15](=[O:16])[O-:17])[cH:4][c:5]([C:11]([F:12])([F:13])[F:14])[cH:6][c:7]1[N+:8](=[O:9])[O-:10]>>[c:2]1([N:21]([CH2:18][CH2:19][CH3:20])[CH2:22][CH2:23][CH3:24])[c:3]([N+:15](=[O:16])[O-:17])[cH:4][c:5]([C:11]([F:12])([F:13])[F:14])[cH:6][c:7]1[N+:8](=[O:9])[O-:10]

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