HRID1148032

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

3 次

HCID813

Potassium cation

K+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID105144

Palladium(2+)

Pd+2

结构：CC(C)(C)OC(=O)N1CCN2C(=O)c3c(cc(Br)cc3C(F)(F)F)C2C1

HCID68691844

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN2C(=O)c3c(cc(O)cc3C(F)(F)F)C2C1

HCID178452205

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f907eb9edd60460aaa840e6fa28dd2bf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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