HRID700510

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID8821

Ethyl acrylate

C5H8O2

HCID10906

tert-Butyl nitrite

C4H9NO2

HCID24014

未命名化合物

结构：COc1c(Cl)cc(F)c(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c1N

HCID18314537

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(Cl)Cc1c(OC)c(Cl)cc(F)c1-n1c(=O)cc(C(F)(F)F)n(C)c1=O

HCID86585909

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f55f72ae642f4c2a9a4b9b554e5ae80b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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