HRID163419

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID31374

Dimethylacetamide

C4H9NO

结构：CC1(C)COC(=O)N1c1nc(-c2ccc(Br)cc2F)cs1

HCID25029876

未命名化合物

HCID178418546

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：CC1(C)COC(=O)N1c1nc(-c2ccc(C#N)cc2F)cs1

HCID25029878

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-81ce3b17bc8549fe9ab7873e1af24792
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

[Br:10][c:11]1[cH:12][c:13]([F:30])[c:14](-[c:17]2[n:18][c:19]([N:22]3[C:23](=[O:29])[O:24][CH2:25][C:26]3([CH3:27])[CH3:28])[s:20][cH:21]2)[cH:15][cH:16]1.[CH3:31][C:32]([N:33]([CH3:34])[CH3:35])=[O:36].[Cu:1][C:2]#[N:3].[cH:37]1[cH:38][cH:39][c:40]([P:41]([Pd:42]([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([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)[P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([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)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[cH:112][cH:113]1.[cH:4]1[cH:5][cH:6][n:7][cH:8][cH:9]1>>[C:2](#[N:3])[c:11]1[cH:12][c:13]([F:30])[c:14](-[c:17]2[n:18][c:19]([N:22]3[C:23](=[O:29])[O:24][CH2:25][C:26]3([CH3:27])[CH3:28])[s:20][cH:21]2)[cH:15][cH:16]1