HRID184424

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID581760

3-Thiopheneboronic acid

C4H5BO2S

结构：CS(=O)(=O)Nc1ccc2ccc3ncc(Cl)cc3c(=O)c2c1

HCID15980822

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：CS(=O)(=O)Nc1ccc2ccc3ncc(-c4ccsc4)cc3c(=O)c2c1

HCID15981074

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2368f0cf17b645c2883eb83d5b0f2809
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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