HRID1565465

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID285645

4-Fluorophenylboronic acid

C6H6BFO2

HCID819973

5-bromo-2-isopropoxybenzaldehyde

C10H11BrO2

反应SMILES：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)Oc1ccc(-c2ccc(F)cc2)cc1C=O

HCID18922465

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-23ef055b72bf4002abe98d09abfa3354
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([O:10][CH:11]([CH3:12])[CH3:13])[c:6]([CH:7]=[O:8])[cH:9]1.[CH3:30][O:31][CH2:32][CH2:33][O:34][CH3:35].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[F:20][c:21]1[cH:22][cH:23][c:24]([B:27]([OH:28])[OH:29])[cH:25][cH:26]1.[Na+:14].[Na+:15].[O-:16][C:17](=[O:18])[O-:19].[cH:42]1[cH:43][cH:44][c:45]([P:46]([Pd:47]([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[cH:117][cH:118]1>>[c:2]1(-[c:24]2[cH:23][cH:22][c:21]([F:20])[cH:26][cH:25]2)[cH:3][cH:4][c:5]([O:10][CH:11]([CH3:12])[CH3:13])[c:6]([CH:7]=[O:8])[cH:9]1