HRID308042

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID151253

1,1'-Biphenyl-4-yl-boronic acid

C12H11BO2

HCID66748103

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：O=S1(=O)CCN2C=CC=C(c3ccc(-c4ccccc4)cc3)C2=N1

HCID66748997

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-adfed29e1a5c4805b873f890bd245572
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:7][C:8]1=[CH:9][CH:10]=[CH:11][N:12]2[C:13]1=[N:14][S:15](=[O:18])(=[O:19])[CH2:16][CH2:17]2.[CH3:36][O:37][CH2:38][CH2:39][O:40][CH3:41].[Na+:1].[Na+:2].[O-:3][C:4](=[O:5])[O-:6].[OH2:35].[c:20]1(-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:21][cH:22][c:23]([B:26]([OH:27])[OH:28])[cH:24][cH:25]1.[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:8]1([c:23]2[cH:22][cH:21][c:20](-[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[cH:25][cH:24]2)=[CH:9][CH:10]=[CH:11][N:12]2[C:13]1=[N:14][S:15](=[O:18])(=[O:19])[CH2:16][CH2:17]2