HRID1567913

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID17750052

[4-Methoxy-3-(trifluoromethyl)phenyl]boronic acid

C8H8BF3O3

HCID55270413

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(-c2cc(N)c([N+](=O)[O-])c(C#N)n2)cc1C(F)(F)F

HCID58938116

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41a77c7a2b6e421394661265211f3152
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:29](=[O:30])([O-:31])[O-:32].[CH2:112]1[O:113][CH2:114][CH2:115][CH2:116]1.[CH3:14][O:15][c:16]1[c:17]([C:25]([F:26])([F:27])[F:28])[cH:18][c:19]([B:22]([OH:23])[OH:24])[cH:20][cH:21]1.[K+:33].[K+:34].[NH2:1][c:2]1[c:3]([N+:11](=[O:12])[O-:13])[c:4]([C:9]#[N:10])[n:5][c:6]([Cl:8])[cH:7]1.[cH:35]1[cH:36][cH:37][c:38]([P:39]([Pd:40]([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([P:60]([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)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[P:79]([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)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[cH:110][cH:111]1>>[NH2:1][c:2]1[c:3]([N+:11](=[O:12])[O-:13])[c:4]([C:9]#[N:10])[n:5][c:6](-[c:19]2[cH:18][c:17]([C:25]([F:26])([F:27])[F:28])[c:16]([O:15][CH3:14])[cH:21][cH:20]2)[cH:7]1