查数据/反应详情

HRID1241009

反应详情

EQUATION

反应方程式

HRID 1241009 的结构方程式

REACTANTS

反应物

2

结构：C#CC#N

Propiolonitrile

C3HN

结构：[N-]=[N+]=C(C(F)(F)F)C(F)(F)F

2-Diazo-1,1,1,3,3,3-hexafluoropropane

C3F6N2

PRODUCTS

生成物

1

结构：N#CC1=CC(C(F)(F)F)(C(F)(F)F)N=N1

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db2a2f6d43fb43b8b88bc5b59d55ca6a
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

[C:12](#[N:13])[C:14]#[CH:15].[F:1][C:2]([F:3])([F:4])[C:5](=[N+:6]=[N-:7])[C:8]([F:9])([F:10])[F:11]>>[F:1][C:2]([F:3])([F:4])[C:5]1([C:8]([F:9])([F:10])[F:11])[N:6]=[N:7][C:14]([C:12]#[N:13])=[CH:15]1

AIchem 开放数据计划：mail@huagongshe.com