HRID164401

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6342

Acetonitrile

C2H3N

HCID10906

tert-Butyl nitrite

C4H9NO2

HCID15413

Methyl tert-butyl ether

C5H12O

HCID27099

Copper(2+)

Cu+2

HCID78376

Dimethyl vinylphosphonate

C4H9O3P

HCID13285967

未命名化合物

PRODUCTS

生成物

结构：COP(=O)(OC)C(Cl)Cc1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Cl

HCID21266832

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3376c07ab7164427aa1c11998aea63c7
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

[CH3:36][C:37]#[N:38].[CH3:40][O:41][C:42]([CH3:43])([CH3:44])[CH3:45].[CH:20](=[CH2:21])[P:22]([O:23][CH3:24])([O:25][CH3:26])=[O:27].[Cl-:28].[Cl:1][c:2]1[c:3]([NH2:4])[cH:5][c:6]([N:9]2[C:10](=[O:19])[C:11]3=[C:16]([CH2:15][CH2:14][CH2:13][CH2:12]3)[C:17]2=[O:18])[cH:7][cH:8]1.[Cu+2:39].[N:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35]>>[Cl:1][c:2]1[c:3]([CH2:21][CH:20]([P:22]([O:23][CH3:24])([O:25][CH3:26])=[O:27])[Cl:28])[cH:5][c:6]([N:9]2[C:10](=[O:19])[C:11]3=[C:16]([CH2:15][CH2:14][CH2:13][CH2:12]3)[C:17]2=[O:18])[cH:7][cH:8]1