HRID106510

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

HCID2734659

2,4-Dichlorophenylboronic acid

C6H5BCl2O2

HCID68614111

未命名化合物

结构：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

生成物

结构：CCC=C(CCC)c1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C

HCID68613989

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3d5cb668408439dba578b13d3778f7f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]([C:12](=[CH:13][CH2:14][CH3:15])[CH2:16][CH2:17][CH3:18])[n:8]([CH3:11])[n:9][c:10]12.[C:36](=[O:37])([O-:38])[O-:39].[CH3:119][CH2:120][O:121][C:122](=[O:123])[CH3:124].[CH3:30][O:31][CH2:32][CH2:33][O:34][CH3:35].[Cl:19][c:20]1[c:21]([B:27]([OH:28])[OH:29])[cH:22][cH:23][c:24]([Cl:26])[cH:25]1.[Na+:40].[Na+:41].[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:21]2[c:20]([Cl:19])[cH:25][c:24]([Cl:26])[cH:23][cH:22]2)[cH:3][cH:4][cH:5][c:6]2[c:7]([C:12](=[CH:13][CH2:14][CH3:15])[CH2:16][CH2:17][CH3:18])[n:8]([CH3:11])[n:9][c:10]12