HRID2337099

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

HCID7761

Diethyl propanedioate

C7H12O4

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID233610

4-bromo-4'-nitrobiphenyl

C12H8BrNO2

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

结构：CCOC(=O)C(C(=O)OCC)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1

HCID59464037

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f048565d3484f3bb4c286e528192d92
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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