HRID123823

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID285645

4-Fluorophenylboronic acid

C6H6BFO2

HCID58827057

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#Cc1ccc(C2CCc3cncn32)c(-c2ccc(F)cc2)c1

HCID58827190

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b5af45794dbf45e3a03d6f8767605065
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]([C:5]#[N:6])[cH:7][cH:8][c:9]1[CH:10]1[CH2:11][CH2:12][c:13]2[n:14]1[cH:15][n:16][cH:17]2.[C:28](=[O:29])([O-:30])[O-:31].[CH3:36][O:37][CH2:38][CH2:39][O:40][CH3:41].[K+:35].[Na+:32].[Na+:33].[OH-:34].[OH:18][B:19]([OH:20])[c:21]1[cH:22][cH:23][c:24]([F:25])[cH:26][cH:27]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:2]1(-[c:21]2[cH:22][cH:23][c:24]([F:25])[cH:26][cH:27]2)[cH:3][c:4]([C:5]#[N:6])[cH:7][cH:8][c:9]1[CH:10]1[CH2:11][CH2:12][c:13]2[n:14]1[cH:15][n:16][cH:17]2