HRID945340

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID10037535

(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)boronic acid

C15H23BO2

HCID22268331

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：COc1ccc(C=O)c(F)c1-c1cc2c(cc1C)C(C)(C)CCC2(C)C

HCID22268287

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f679de00e9fd4113a431d18e8c81e5a7
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:37](=[O:38])([O-:39])[O-:40].[CH3:19][c:20]1[c:21]([B:34]([OH:35])[OH:36])[cH:22][c:23]2[c:28]([cH:29]1)[C:27]([CH3:30])([CH3:31])[CH2:26][CH2:25][C:24]2([CH3:32])[CH3:33].[CH3:43][O:44][CH2:45][CH2:46][O:47][CH3:48].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[F:1][c:2]1[c:3]([CH:4]=[O:5])[cH:6][cH:7][c:8]([O:17][CH3:18])[c:9]1[S:10]([C:11]([F:12])([F:13])[F:14])(=[O:15])=[O:16].[K+:41].[K+:42].[OH2:49].[cH:56]1[cH:57][cH:58][c:59]([P:60]([Pd:61]([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)[P:100]([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)([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132]1>>[F:1][c:2]1[c:3]([CH:4]=[O:5])[cH:6][cH:7][c:8]([O:17][CH3:18])[c:9]1-[c:21]1[c:20]([CH3:19])[cH:29][c:28]2[c:23]([cH:22]1)[C:24]([CH3:32])([CH3:33])[CH2:25][CH2:26][C:27]2([CH3:30])[CH3:31]