HRID181260

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID2734389

4-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

HCID11482935

4-acetyl-3-methylphenyl trifluoromethanesulfonate

C10H9F3O4S

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

HCID67342759

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89fde128d0f749d09f33359f1d39d37b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([CH3:18])[cH:6][c:7]([O:10][S:11]([C:12]([F:13])([F:14])[F:15])(=[O:16])=[O:17])[cH:8][cH:9]1.[C:32](=[O:33])([O-:34])[O-:35].[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43].[CH3:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49].[F:19][C:20]([c:21]1[cH:22][cH:23][c:24]([B:27]([OH:28])[OH:29])[cH:25][cH:26]1)([F:30])[F:31].[K+:36].[K+:37].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[OH2:50].[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([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)([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([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)[P:101]([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)([c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[cH:132][cH:133]1>>[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([CH3:18])[cH:6][c:7](-[c:24]2[cH:23][cH:22][c:21]([C:20]([F:19])([F:30])[F:31])[cH:26][cH:25]2)[cH:8][cH:9]1