HRID112720

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID2773477

2-Isopropylphenylboronic acid

C9H13BO2

结构：CCOC(=O)Cn1c(C)cc(OS(=O)(=O)C(F)(F)F)c(C(C)=O)c1=O

HCID23000174

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：CCOC(=O)Cn1c(C)cc(-c2ccccc2C(C)C)c(C(C)=O)c1=O

HCID23000162

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2997da5ebb1745db8243996fa05eb0f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[c:4]1[c:5](=[O:25])[n:6]([CH2:19][C:20](=[O:21])[O:22][CH2:23][CH3:24])[c:7]([CH3:18])[cH:8][c:9]1[O:10][S:11]([C:12]([F:13])([F:14])[F:15])(=[O:16])=[O:17].[C:38](=[O:39])([O-:40])[O-:41].[CH:26]([CH3:27])([CH3:28])[c:29]1[c:30]([B:35]([OH:36])[OH:37])[cH:31][cH:32][cH:33][cH:34]1.[K+:42].[K+:43].[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:1]([CH3:2])(=[O:3])[c:4]1[c:5](=[O:25])[n:6]([CH2:19][C:20](=[O:21])[O:22][CH2:23][CH3:24])[c:7]([CH3:18])[cH:8][c:9]1-[c:30]1[c:29]([CH:26]([CH3:27])[CH3:28])[cH:34][cH:33][cH:32][cH:31]1