HRID662355

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

HCID568638

2-Chloro-4-cyanopyridine

C6H3ClN2

HCID2734389

4-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

结构：CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1

HCID11155794

2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl

C33H49P

PRODUCTS

生成物

HCID66832380

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc8990ad5bdb4a2cbe1056c0c6a65f05
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:10](=[O:11])([O-:12])[O-:13].[C:69]([O-:70])(=[O:71])[CH3:72].[C:74]([O-:75])(=[O:76])[CH3:77].[CH:29]1([P:30]([CH:31]2[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2-[c:43]2[c:44]([CH:45]([CH3:46])[CH3:47])[cH:48][c:49]([CH:50]([CH3:51])[CH3:52])[cH:53][c:54]2[CH:55]([CH3:56])[CH3:57])[CH2:58][CH2:59][CH2:60][CH2:61][CH2:62]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([C:8]#[N:9])[cH:7]1.[Cs+:14].[Cs+:15].[F:16][C:17]([c:18]1[cH:19][cH:20][c:21]([B:24]([OH:25])[OH:26])[cH:22][cH:23]1)([F:27])[F:28].[O:63]1[CH2:64][CH2:65][O:66][CH2:67][CH2:68]1.[Pd+2:73]>>[c:2]1(-[c:21]2[cH:20][cH:19][c:18]([C:17]([F:16])([F:27])[F:28])[cH:23][cH:22]2)[n:3][cH:4][cH:5][c:6]([C:8]#[N:9])[cH:7]1