HRID136563

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID8289

Triphenyl phosphate

C18H15O4P

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID2734610

2-Cyanophenylboronic acid

C7H6BNO2

结构：CCOC(=O)c1c(-c2ccc(OS(=O)(=O)C(F)(F)F)cc2)c(C#N)c(C(F)(F)F)n1C

HCID86611446

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(-c2ccc(-c3ccccc3C#N)cc2)c(C#N)c(C(F)(F)F)n1C

HCID69020303

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ed5001a533e42f8ab08bfb49a603599
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:1](#[N:2])[c:3]1[c:4](-[c:18]2[cH:19][cH:20][c:21]([O:24][S:25]([C:26]([F:27])([F:28])[F:29])(=[O:30])=[O:31])[cH:22][cH:23]2)[c:5]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[n:6]([CH3:12])[c:7]1[C:8]([F:9])([F:10])[F:11].[C:32](#[N:33])[c:34]1[c:35]([B:40]([OH:41])[OH:42])[cH:36][cH:37][cH:38][cH:39]1.[K+:71].[K+:72].[K+:73].[O-:75][C:76]([CH3:77])=[O:78].[O-:79][C:80]([CH3:81])=[O:82].[O:83]1[CH2:84][CH2:85][O:86][CH2:87][CH2:88]1.[P:66]([O-:67])([O-:68])([O-:69])=[O:70].[Pd+2:74].[c:43]1([O:44][P:45]([O:46][c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([O:53][c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)=[O:60])[cH:61][cH:62][cH:63][cH:64][cH:65]1>>[C:1](#[N:2])[c:3]1[c:4](-[c:18]2[cH:19][cH:20][c:21](-[c:35]3[c:34]([C:32]#[N:33])[cH:39][cH:38][cH:37][cH:36]3)[cH:22][cH:23]2)[c:5]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[n:6]([CH3:12])[c:7]1[C:8]([F:9])([F:10])[F:11]