HRID1212541

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8254

Dimethyl ether

C2H6O

HCID33558

Azide

N3-

结构：O=C(Cl)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

HCID10864135

(Perfluorooctyl)propanoyl chloride

C11H4ClF17O

PRODUCTS

生成物

结构：[N-]=[N+]=NC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

HCID22061606

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b7b40c10ab0d494ebf2882b999cbf5cd
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

[CH3:36][O:37][CH3:38].[CH3:39][C:40](=[O:41])[CH3:42].[F:6][C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([F:15])([F:16])[F:17])([F:18])[F:19])([F:20])[F:21])([F:22])[F:23])([F:24])[F:25])([F:26])[F:27])([F:28])[F:29])([CH2:30][CH2:31][C:32](=[O:33])[Cl:34])[F:35].[N-:2]=[N+:3]=[N-:4].[Na+:1].[OH2:5]>>[N:2](=[N+:3]=[N-:4])[C:32]([CH2:31][CH2:30][C:7]([F:6])([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([F:15])([F:16])[F:17])([F:18])[F:19])([F:20])[F:21])([F:22])[F:23])([F:24])[F:25])([F:26])[F:27])([F:28])[F:29])[F:35])=[O:33]