HRID1556733

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID3862902

cyclohexen-1-ylboronic acid

C6H11BO2

HCID59128555

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

HCID59128541

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cddb7f2693aa454e9c7025f204a25dc7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[c:3]([NH2:16])[cH:4][cH:5][c:6]([CH:8]2[CH2:9][CH2:10][S:11](=[O:14])(=[O:15])[CH2:12][CH2:13]2)[cH:7]1.[C:17]1([B:23]([OH:24])[OH:25])=[CH:18][CH2:19][CH2:20][CH2:21][CH2:22]1.[C:26](=[O:27])([O-:28])[O-:29].[CH2:38]1[O:39][CH2:40][CH2:41][O:42][CH2:43]1.[CH3:32][CH2:33][O:34][C:35]([CH3:36])=[O:37].[Na+:30].[Na+:31].[cH:44]1[cH:45][cH:46][c:47]([P:48]([Pd:49]([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([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)([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([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)[P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[cH:119][cH:120]1>>[c:2]1([C:17]2=[CH:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[c:3]([NH2:16])[cH:4][cH:5][c:6]([CH:8]2[CH2:9][CH2:10][S:11](=[O:14])(=[O:15])[CH2:12][CH2:13]2)[cH:7]1