HRID106614

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID736029

4-Bromo-2-fluorobenzonitrile

C7H3BrFN

HCID67308464

未命名化合物

PRODUCTS

生成物

结构：COc1cncc(-c2cccc3c2c2ccccc2n3-c2ccc(C#N)c(F)c2)c1

HCID67308001

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-81d82278f31843799d970986223e8a7f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([F:10])[c:5]([C:6]#[N:7])[cH:8][cH:9]1.[C:11](=[O:12])([O-:13])[O-:14].[C:44]([O-:45])(=[O:46])[CH3:47].[C:49]([O-:50])(=[O:51])[CH3:52].[CH3:17][O:18][c:19]1[cH:20][c:21](-[c:25]2[cH:26][cH:27][cH:28][c:29]3[nH:30][c:31]4[cH:32][cH:33][cH:34][cH:35][c:36]4[c:37]23)[cH:22][n:23][cH:24]1.[Cs+:15].[Cs+:16].[O:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1.[Pd+2:48]>>[c:2]1(-[n:30]2[c:29]3[cH:28][cH:27][cH:26][c:25](-[c:21]4[cH:20][c:19]([O:18][CH3:17])[cH:24][n:23][cH:22]4)[c:37]3[c:36]3[c:31]2[cH:32][cH:33][cH:34][cH:35]3)[cH:3][c:4]([F:10])[c:5]([C:6]#[N:7])[cH:8][cH:9]1