HRID2333603

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

反应SMILES：CC1(C)OB(c2ccc([N+](=O)[O-])c(F)c2)OC1(C)C

HCID46739531

2-(3-Fluoro-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C12H15BFNO4

HCID59457825

未命名化合物

反应SMILES：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

产物

反应SMILES：O=[N+]([O-])c1ccc(-c2c(-c3ccc(F)cc3)nc3occn23)cc1F

HCID59457827

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-52978f8d8b48497591e007df71bde043
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[C:36](=[O:37])([O-:38])[O-:39].[CH3:42][O:43][CH2:44][CH2:45][O:46][CH3:47].[Cs+:40].[Cs+:41].[F:17][c:18]1[cH:19][c:20]([B:27]2[O:28][C:29]([CH3:30])([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35]2)[cH:21][cH:22][c:23]1[N+:24](=[O:25])[O-:26].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[o:11][cH:12][cH:13][n:14]3[c:15]2[I:16])[cH:6][cH:7]1.[OH2:125].[cH:48]1[cH:49][cH:50][c:51]([P:52]([Pd:53]([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([P:73]([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)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[P:92]([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)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[o:11][cH:12][cH:13][n:14]3[c:15]2-[c:20]2[cH:19][c:18]([F:17])[c:23]([N+:24](=[O:25])[O-:26])[cH:22][cH:21]2)[cH:6][cH:7]1