HRID155498

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID4157211

2-Fluoro-5-methoxyphenylboronic acid

C7H8BFO3

结构：COC(=O)c1cc(C2=CCCC2(C)C)c(OS(=O)(=O)C(F)(F)F)cc1F

HCID57706168

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：COC(=O)c1cc(C2=CCCC2(C)C)c(-c2cc(OC)ccc2F)cc1F

HCID57706663

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca6e3985697b4e8788a656dea17242c3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:39](=[O:40])([O-:41])[O-:42].[CH3:1][C:2]1([CH3:26])[CH2:3][CH2:4][CH:5]=[C:6]1[c:7]1[c:8]([O:18][S:19]([C:20]([F:21])([F:22])[F:23])(=[O:24])=[O:25])[cH:9][c:10]([F:17])[c:11]([C:12](=[O:13])[O:14][CH3:15])[cH:16]1.[F:27][c:28]1[c:29]([B:36]([OH:37])[OH:38])[cH:30][c:31]([O:34][CH3:35])[cH:32][cH:33]1.[K+:43].[K+:44].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH2:50].[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([P:57]([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)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([P:76]([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)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[P:95]([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)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127]1>>[CH3:1][C:2]1([CH3:26])[CH2:3][CH2:4][CH:5]=[C:6]1[c:7]1[c:8](-[c:29]2[c:28]([F:27])[cH:33][cH:32][c:31]([O:34][CH3:35])[cH:30]2)[cH:9][c:10]([F:17])[c:11]([C:12](=[O:13])[O:14][CH3:15])[cH:16]1