HRID944015

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6342

Acetonitrile

C2H3N

HCID6422

未命名化合物

HCID19660

Carbonate

CO3-2

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID54469909

未命名化合物

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

结构：COCCOCOc1c(C=O)cc(CC(=O)OC)cc1-c1ccccc1

HCID54196773

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c3d775d7ff2946c79585932b2cb9ffed
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7]([Br:20])[c:8]([O:13][CH2:14][O:15][CH2:16][CH2:17][O:18][CH3:19])[c:9]([CH:11]=[O:12])[cH:10]1)=[O:21].[CH3:31][C:32]#[N:33].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[F:35][C:36]([F:37])([F:38])[C:39]([OH:40])=[O:41].[K+:49].[K+:50].[O-:51][C:52]([O-:53])=[O:54].[OH2:34].[OH:22][B:23]([OH:24])[c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[cH:55]1[cH:56][cH:57][c:58]([P:59]([Pd:60]([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)[P:99]([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131]1>>[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7](-[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:8]([O:13][CH2:14][O:15][CH2:16][CH2:17][O:18][CH3:19])[c:9]([CH:11]=[O:12])[cH:10]1)=[O:21]