HRID689675

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID520695

5-Bromo-1-indanone

C9H7BrO

HCID583322

2,6-Dimethylphenylboronic acid

C8H11BO2

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

HCID23157183

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b2df7418d8148b2bef9d5d92a3805f5
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

[Br:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[C:7](=[O:11])[CH2:6][CH2:5]2.[CH3:114][c:115]1[cH:116][cH:117][cH:118][cH:119][cH:120]1.[CH3:12][c:13]1[c:14]([B:20]([OH:21])[OH:22])[c:15]([CH3:19])[cH:16][cH:17][cH:18]1.[CH3:29][OH:30].[CH3:31][CH2:32][O:33][C:34](=[O:35])[CH3:36].[Na+:23].[Na+:24].[O-:25][C:26](=[O:27])[O-:28].[OH2:121].[cH:37]1[cH:38][cH:39][c:40]([P:41]([Pd:42]([P:43]([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)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([P:62]([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)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[P:81]([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)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[cH:112][cH:113]1>>[c:2]1(-[c:14]2[c:13]([CH3:12])[cH:18][cH:17][cH:16][c:15]2[CH3:19])[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[C:7](=[O:11])[CH2:6][CH2:5]2