HRID166202

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

HCID2763301

2-Fluoro-5-(trifluoromethyl)phenylboronic acid

C7H5BF4O2

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)ccc1F

HCID59205221

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb6f366971e84fa2af268fe58d206e1d
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].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[F:28][c:29]1[c:30]([B:39]([OH:40])[OH:41])[cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]1.[K+:47].[K+:48].[K+:49].[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1.[P:42]([O-:43])([O-:44])([O-:45])=[O:46].[cH:62]1[cH:63][cH:64][c:65]([P:66]([Pd:67]([P:68]([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)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([P:87]([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)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[P:106]([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)[c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[cH:137][cH:138]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:30]1[c:29]([F:28])[cH:34][cH:33][c:32]([C:35]([F:36])([F:37])[F:38])[cH:31]1