HRID121547

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID285645

4-Fluorophenylboronic acid

C6H6BFO2

HCID59700618

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：Cc1cccc(-c2nn3ccccc3c2-c2ccc(F)cc2)n1

HCID59700608

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5fa8d5d0df9746b3963aab905dc242a3
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](-[c:11]2[n:12][c:13]([CH3:17])[cH:14][cH:15][cH:16]2)[n:4][n:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2.[CH3:30][O:31][CH2:32][CH2:33][O:34][CH3:35].[CH3:36][CH2:37][O:38][C:39]([CH3:40])=[O:41].[F:18][c:19]1[cH:20][cH:21][c:22]([B:25]([OH:26])[OH:27])[cH:23][cH:24]1.[Na+:29].[OH-:28].[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:22]2[cH:21][cH:20][c:19]([F:18])[cH:24][cH:23]2)[c:3](-[c:11]2[n:12][c:13]([CH3:17])[cH:14][cH:15][cH:16]2)[n:4][n:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2