HRID305025

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID31275

1,4-Dioxane

C4H8O2

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID2736835

Methyl 2-chloro-6-methylpyrimidine-4-carboxylate

C7H7ClN2O2

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

HCID58101529

Methyl 6-methyl-2-phenyl-4-pyrimidinecarboxylate

C13H12N2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5de7ca58d7d54869a10aded7052bc754
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

[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([Cl:12])[n:8][c:9]([CH3:11])[cH:10]1.[K+:27].[K+:28].[K+:29].[O:30]1[CH2:31][CH2:32][O:33][CH2:34][CH2:35]1.[OH:13][B:14]([OH:15])[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1.[P:22]([O-:23])([O-:24])([O-:25])=[O:26].[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>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7](-[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[n:8][c:9]([CH3:11])[cH:10]1