HRID2314558

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID2773487

4-Methoxy-3-methylphenylboronic acid

C8H11BO3

HCID135427096

6-Chloropyrido[3,2-d]pyrimidin-4(3H)-one

C7H4ClN3O

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

HCID136270017

6-(4-Methoxy-3-methylphenyl)pyrido[3,2-d]pyrimidin-4(1H)-one

C15H13N3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-04726c11886a4baebeecffa3d3b7d037
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:25](=[O:26])([O-:27])[O-:28].[CH2:31]1[O:32][CH2:33][CH2:34][O:35][CH2:36]1.[CH3:13][O:14][c:15]1[c:16]([CH3:24])[cH:17][c:18]([B:21]([OH:22])[OH:23])[cH:19][cH:20]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]2[n:6][cH:7][nH:8][c:9](=[O:12])[c:10]2[n:11]1.[K+:29].[K+:30].[OH2:37].[cH:38]1[cH:39][cH:40][c:41]([P:42]([Pd:43]([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[cH:113][cH:114]1>>[c:2]1(-[c:18]2[cH:17][c:16]([CH3:24])[c:15]([O:14][CH3:13])[cH:20][cH:19]2)[cH:3][cH:4][c:5]2[n:6][cH:7][nH:8][c:9](=[O:12])[c:10]2[n:11]1