HRID2133455

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID61668

Boronic acid

H3BO2

HCID255719

5-Bromo-2,4-dimethoxypyrimidine

C6H7BrN2O2

HCID2783270

2-Fluoro-3-pyridylboronic acid

C5H5BFNO2

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

HCID58994155

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84f11f3929ec4d7889a3bf5dfcbe2b3a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[BH:28]([OH:29])[OH:30].[Br:1][c:2]1[c:3]([O:10][CH3:11])[n:4][c:5]([O:8][CH3:9])[n:6][cH:7]1.[C:22](=[O:23])([O-:24])[O-:25].[CH2:115]1[O:116][CH2:117][CH2:118][O:119][CH2:120]1.[CH3:108][CH2:109][O:110][C:111]([CH3:112])=[O:113].[F:12][c:13]1[n:14][cH:15][cH:16][cH:17][c:18]1[B:19]([OH:20])[OH:21].[K+:26].[K+:27].[OH2:114].[cH:31]1[cH:32][cH:33][c:34]([P:35]([Pd:36]([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[cH:106][cH:107]1>>[c:2]1(-[c:18]2[c:13]([F:12])[n:14][cH:15][cH:16][cH:17]2)[c:3]([O:10][CH3:11])[n:4][c:5]([O:8][CH3:9])[n:6][cH:7]1