HRID126222

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID3264666

未命名化合物

HCID4198739

2,4-Dimethylphenylboronic acid

C8H11BO2

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

HCID58938562

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8900640bb2d445baa782465b336c8d80
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[c:3](=[O:11])[n:4]([CH3:10])[c:5]([S:8][CH3:9])[n:6][cH:7]1.[C:23](=[O:24])([O-:25])[O-:26].[CH3:12][c:13]1[c:14]([B:20]([OH:21])[OH:22])[cH:15][cH:16][c:17]([CH3:19])[cH:18]1.[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[K+:27].[K+:28].[O:30]1[CH2:31][CH2:32][O:33][CH2:34][CH2:35]1.[OH2:29].[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:14]2[c:13]([CH3:12])[cH:18][c:17]([CH3:19])[cH:16][cH:15]2)[c:3](=[O:11])[n:4]([CH3:10])[c:5]([S:8][CH3:9])[n:6][cH:7]1