HRID291030

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID2733267

2-Methylphenylboronic acid

C7H9BO2

HCID57732464

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：COc1cc(F)c2nc(C)c3c(C)nc(-c4ccccc4C)n3c2c1

HCID42629474

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bdc956ded47745a9897aef5052ea3eb9
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:1][c:2]1[n:3][c:4]([CH3:19])[c:5]2[n:6]1[c:7]1[cH:8][c:9]([O:17][CH3:18])[cH:10][c:11]([F:16])[c:12]1[n:13][c:14]2[CH3:15].[CH3:20][c:21]1[c:22]([B:27]([OH:28])[OH:29])[cH:23][cH:24][cH:25][cH:26]1.[K+:30].[K+:31].[O-:32][C:33]([O-:34])=[O:35].[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:22]2[c:21]([CH3:20])[cH:26][cH:25][cH:24][cH:23]2)[n:3][c:4]([CH3:19])[c:5]2[n:6]1[c:7]1[cH:8][c:9]([O:17][CH3:18])[cH:10][c:11]([F:16])[c:12]1[n:13][c:14]2[CH3:15]