HRID191207

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID285645

4-Fluorophenylboronic acid

C6H6BFO2

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

HCID136000890

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

C13H8FN3O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-004b4fafad0b44219c35fd69bfe3ed0f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:29][C:30](=[O:31])[OH:32].[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+:23].[K+:24].[O-:25][C:26]([O-:27])=[O:28].[O:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1.[OH2:39].[OH:13][B:14]([OH:15])[c:16]1[cH:17][cH:18][c:19]([F:20])[cH:21][cH:22]1.[cH:40]1[cH:41][cH:42][c:43]([P:44]([Pd:45]([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116]1>>[c:2]1(-[c:16]2[cH:17][cH:18][c:19]([F:20])[cH:21][cH:22]2)[cH:3][cH:4][c:5]2[n:6][cH:7][nH:8][c:9](=[O:12])[c:10]2[n:11]1