HRID2145317

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID2773962

Ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

C15H21BO4

HCID3294148

Methyl 4-bromo-3-methylbenzoate

C9H9BrO2

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

HCID59492673

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e9b90fe6a9a4846af44651fcf0ce610
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

[Br:1][c:2]1[c:3]([CH3:12])[cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1.[CH3:13][C:14]1([CH3:15])[C:16]([CH3:17])([CH3:18])[O:19][B:20]([c:21]2[c:22]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[cH:28][cH:29][cH:30][cH:31]2)[O:32]1.[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[K+:45].[K+:46].[K+:47].[OH2:125].[P:40]([O-:41])([O-:42])([O-:43])=[O:44].[cH:48]1[cH:49][cH:50][c:51]([P:52]([Pd:53]([P:54]([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)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([P:73]([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)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[P:92]([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)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124]1>>[c:2]1(-[c:21]2[c:22]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[cH:28][cH:29][cH:30][cH:31]2)[c:3]([CH3:12])[cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1