HRID310464

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

HCID2782665

2-Benzyloxy-4-fluorophenylboronic acid

C13H12BFO3

结构：COC(=O)c1cc([N+](=O)[O-])cc(C)c1OS(=O)(=O)C(F)(F)F

HCID58026836

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([N+](=O)[O-])cc(C)c1-c1ccc(F)cc1OCc1ccccc1

HCID58026740

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-353047355b234bb4a0445a20751cd3bb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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