HRID139642

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID156265

3,5-Bis-trifluoromethylphenylboronic acid

C8H5BF6O2

结构：CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1OS(=O)(=O)C(F)(F)F

HCID59205182

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)c1cnc2cc(C(F)(F)F)ccc2c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID59205201

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-237f9295d50b409fa319a05b29d8c832
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

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][n:8][c:9]2[cH:10][c:11]([C:24]([F:25])([F:26])[F:27])[cH:12][cH:13][c:14]2[c:15]1[O:16][S:17]([C:18]([F:19])([F:20])[F:21])(=[O:22])=[O:23].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[F:28][C:29]([c:30]1[cH:31][c:32]([B:40]([OH:41])[OH:42])[cH:33][c:34]([C:36]([F:37])([F:38])[F:39])[cH:35]1)([F:43])[F:44].[K+:50].[K+:51].[K+:52].[O:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1.[P:45]([O-:46])([O-:47])([O-:48])=[O:49].[cH:65]1[cH:66][cH:67][c:68]([P:69]([Pd:70]([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[P:109]([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)([c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[c:134]2[cH:135][cH:136][cH:137][cH:138][cH:139]2)[cH:140][cH:141]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][n:8][c:9]2[cH:10][c:11]([C:24]([F:25])([F:26])[F:27])[cH:12][cH:13][c:14]2[c:15]1-[c:32]1[cH:31][c:30]([C:29]([F:28])([F:43])[F:44])[cH:35][c:34]([C:36]([F:37])([F:38])[F:39])[cH:33]1