HRID2138769

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID276224

3-Chloropyrazin-2-amine

C4H4ClN3

HCID5106508

2,3,5-Trichlorophenylboronic acid

C6H4BCl3O2

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

HCID18180204

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db3d2d9d93114213ab37e343f21f0757
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:27][CH2:28][OH:29].[Cl:1][c:2]1[c:3]([B:10]([OH:11])[OH:12])[cH:4][c:5]([Cl:9])[cH:6][c:7]1[Cl:8].[NH2:13][c:14]1[n:15][cH:16][cH:17][n:18][c:19]1[Cl:20].[Na+:21].[Na+:22].[O-:23][C:24](=[O:25])[O-:26].[cH:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[cH:36]1[cH:37][cH:38][c:39]([P:40]([Pd:41]([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)([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)([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([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)[P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([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)[cH:111][cH:112]1>>[Cl:1][c:2]1[c:3](-[c:19]2[c:14]([NH2:13])[n:15][cH:16][cH:17][n:18]2)[cH:4][c:5]([Cl:9])[cH:6][c:7]1[Cl:8]