HRID808879

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID3283

Diethyl Ether

C4H10O

HCID19660

Carbonate

CO3-2

HCID245495

methyl 5-amino-2-bromobenzoate

C8H8BrNO2

HCID2773294

2-Bromophenylboronic acid

C6H6BBrO2

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

HCID58730987

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80fcf4023a104b23a4dce979f351356c
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[c:3]([B:8]([OH:9])[OH:10])[cH:4][cH:5][cH:6][cH:7]1.[C:23](=[O:24])([O-:25])[O-:26].[CH2:29]([OH:30])[CH3:31].[CH3:39][CH2:40][O:41][CH2:42][CH3:43].[K+:27].[K+:28].[NH2:11][c:12]1[cH:13][cH:14][c:15]([Br:22])[c:16]([C:17](=[O:18])[O:19][CH3:20])[cH:21]1.[OH2:44].[c:32]1([CH3:33])[cH:34][cH:35][cH:36][cH:37][cH:38]1.[cH:45]1[cH:46][cH:47][c:48]([P:49]([Pd:50]([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[cH:120][cH:121]1>>[Br:1][c:2]1[c:3](-[c:15]2[cH:14][cH:13][c:12]([NH2:11])[cH:21][c:16]2[C:17](=[O:18])[O:19][CH3:20])[cH:4][cH:5][cH:6][cH:7]1