HRID818539

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID66827

Boronic acid, phenyl-

C6H7BO2

结构：COc1c(F)c(I)c(C)c(C#N)c1NC(=O)C(C)(C)C

HCID86630831

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：COc1c(F)c(-c2ccccc2)c(C)c(C#N)c1NC(=O)C(C)(C)C

HCID86630833

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-88137e9919884e65bdf065e524630815
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:6](#[N:7])[c:8]1[c:9]([NH:19][C:20]([C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[c:10]([O:17][CH3:18])[c:11]([F:16])[c:12]([I:15])[c:13]1[CH3:14].[CH3:112][CH2:113][O:114][C:115](=[O:116])[CH3:117].[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[OH:26][B:27]([OH:28])[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]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>>[C:6](#[N:7])[c:8]1[c:9]([NH:19][C:20]([C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[c:10]([O:17][CH3:18])[c:11]([F:16])[c:12](-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:13]1[CH3:14]