HRID668003

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID286754

4-Amino-6-chloro-2-methylpyrimidine

C5H6ClN3

HCID24901779

(5-Chloro-2-fluoropyridin-3-yl)boronic acid

C5H4BClFNO2

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

HCID66600262

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ecd13fbe00e4f93b47a095540d34afd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:26](=[O:27])([O-:28])[O-:29].[CH3:22][C:23](=[O:24])[O-:25].[CH3:38][CH2:39][OH:40].[Cl:10][c:11]1[cH:12][c:13]([B:18]([OH:19])[OH:20])[c:14]([F:17])[n:15][cH:16]1.[Cl:1][c:2]1[cH:3][c:4]([NH2:9])[n:5][c:6]([CH3:8])[n:7]1.[K+:21].[Na+:30].[Na+:31].[O:32]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1.[OH2:41].[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:13]2[cH:12][c:11]([Cl:10])[cH:16][n:15][c:14]2[F:17])[cH:3][c:4]([NH2:9])[n:5][c:6]([CH3:8])[n:7]1