HRID100478

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 Ion

CO3-2

HCID144267

4-Bromo-2-methylbenzonitrile

C8H6BrN

HCID201262

Benzeneboronic acid, p-methoxy-

C7H9BO3

HCID178420554

未命名化合物

PRODUCTS

产物

HCID11218346

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-bac72f53c21b4cdebd6c8e0f86769b40
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[cH:3][c:4]([CH3:10])[c:5]([C:6]#[N:7])[cH:8][cH:9]1.[C:11](=[O:12])([O-:13])[O-:14].[CH3:17][O:18][c:19]1[cH:20][cH:21][c:22]([B:25]([OH:26])[OH:27])[cH:23][cH:24]1.[CH3:34][CH2:35][OH:36].[Na+:15].[Na+:16].[cH:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[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>>[c:2]1(-[c:22]2[cH:21][cH:20][c:19]([O:18][CH3:17])[cH:24][cH:23]2)[cH:3][c:4]([CH3:10])[c:5]([C:6]#[N:7])[cH:8][cH:9]1