HRID109690

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID8028

Tetrahydrofuran

C4H8O

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID68584619

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：N#Cc1cc(-c2ccccc2)c(F)cc1[N+](=O)[O-]

HCID68584464

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-044238e38d5541e8991bbc875a81b2a8
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]([F:13])[cH:4][c:5]([N+:10](=[O:11])[O-:12])[c:6]([C:7]#[N:8])[cH:9]1.[K+:28].[K+:29].[K+:30].[O:31]1[CH2:32][CH2:33][CH2:34][CH2:35]1.[OH:14][B:15]([OH:16])[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1.[P:23]([O-:24])([O-:25])([O-:26])=[O:27].[cH:36]1[cH:37][cH:38][c:39]([P:40]([Pd:41]([P:42]([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)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([P:61]([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)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[P:80]([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)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[cH:111][cH:112]1>>[c:2]1(-[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[c:3]([F:13])[cH:4][c:5]([N+:10](=[O:11])[O-:12])[c:6]([C:7]#[N:8])[cH:9]1