HRID151145

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID2734334

2,4-Difluorophenylboronic acid

C6H5BF2O2

结构：COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

结构：CC(C)(C)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-]

HCID63896832

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc(-c2ccc(F)cc2F)cc1[N+](=O)[O-]

HCID67343403

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f2ddb456c4845d1b67750c894fd3c72
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:29](=[O:30])([O-:31])[O-:32].[C:64]([O-:65])(=[O:66])[CH3:67].[C:69]([O-:70])(=[O:71])[CH3:72].[CH3:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[CH:35]1([P:36]([CH:37]2[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2-[c:49]2[c:50]([O:51][CH3:52])[cH:53][cH:54][cH:55][c:56]2[O:57][CH3:58])[CH2:59][CH2:60][CH2:61][CH2:62][CH2:63]1.[Cl:1][c:2]1[cH:3][c:4]([N+:15](=[O:16])[O-:17])[c:5]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][cH:14]1.[Cs+:33].[Cs+:34].[F:18][c:19]1[c:20]([B:26]([OH:27])[OH:28])[cH:21][cH:22][c:23]([F:25])[cH:24]1.[Pd+2:68]>>[c:2]1(-[c:20]2[c:19]([F:18])[cH:24][c:23]([F:25])[cH:22][cH:21]2)[cH:3][c:4]([N+:15](=[O:16])[O-:17])[c:5]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][cH:14]1