HRID665934

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID80646

3-(4-Bromobenzoyl)propionic acid

C10H9BrO3

HCID2734324

5-Chlorothiophene-2-boronic acid

C4H4BClO2S

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

HCID12043169

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d05cdd4181bd40d89239083a740058d3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:10][c:11]1[cH:12][cH:13][c:14]([C:17]([CH2:18][CH2:19][C:20](=[O:21])[OH:22])=[O:23])[cH:15][cH:16]1.[CH3:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([B:7]([OH:8])[OH:9])[s:6]1.[Na+:24].[Na+:25].[O-:26][C:27](=[O:28])[O-:29].[cH:30]1[cH:31][cH:32][c:33]([P:34]([Pd:35]([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)([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)([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([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)[P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([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)[cH:105][cH:106]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:11]2[cH:12][cH:13][c:14]([C:17]([CH2:18][CH2:19][C:20](=[O:21])[OH:22])=[O:23])[cH:15][cH:16]2)[s:6]1