HRID156107

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

3 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID67889

2,2,2-Trifluoroethyl acrylate

C5H5F3O2

HCID105144

Palladium(2+)

Pd+2

结构：Cn1c(C(F)(F)F)cc(=O)n(-c2ccc(Cl)c(I)c2)c1=O

HCID21201234

未命名化合物

PRODUCTS

生成物

结构：Cn1c(C(F)(F)F)cc(=O)n(-c2ccc(Cl)c(C=CC(=O)OCC(F)(F)F)c2)c1=O

HCID86583794

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f53861cc59b9491abaa7985d6c2bc802
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

[C:22]([CH:23]=[CH2:24])(=[O:25])[O:26][CH2:27][C:28]([F:29])([F:30])[F:31].[C:43]([O-:44])(=[O:45])[CH3:46].[C:48]([O-:49])(=[O:50])[CH3:51].[CH3:33][C:34](=[O:35])[O-:36].[CH3:38][N:39]([CH3:40])[CH:41]=[O:42].[Cl:1][c:2]1[c:3]([I:21])[cH:4][c:5](-[n:8]2[c:9](=[O:20])[n:10]([CH3:19])[c:11]([C:15]([F:16])([F:17])[F:18])[cH:12][c:13]2=[O:14])[cH:6][cH:7]1.[Na+:32].[OH2:37].[Pd+2:47]>>[Cl:1][c:2]1[c:3]([CH:24]=[CH:23][C:22](=[O:25])[O:26][CH2:27][C:28]([F:29])([F:30])[F:31])[cH:4][c:5](-[n:8]2[c:9](=[O:20])[n:10]([CH3:19])[c:11]([C:15]([F:16])([F:17])[F:18])[cH:12][c:13]2=[O:14])[cH:6][cH:7]1