HRID1558796

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5975

Cyanide

CN-

2 次

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID32051

Zinc (II) cation

Zn+2

反应SMILES：CC1(C)COC(=O)N1c1nc(-c2ccc(Br)cc2)ns1

HCID25027368

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：CC1(C)COC(=O)N1c1nc(-c2ccc(C#N)cc2)ns1

HCID25027369

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6c53ac6e001e4a91a9e53a54bdbc80f6
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

[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][s:10][c:11]([N:13]3[C:14](=[O:20])[O:15][CH2:16][C:17]3([CH3:18])[CH3:19])[n:12]2)[cH:6][cH:7]1.[C-:32]#[N:33].[C-:35]#[N:36].[CH3:21][N:22]([CH3:23])[CH:24]=[O:25].[CH3:26][CH2:27][O:28][C:29](=[O:30])[CH3:31].[Zn+2:34].[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>>[c:2]1([C:21]#[N:22])[cH:3][cH:4][c:5](-[c:8]2[n:9][s:10][c:11]([N:13]3[C:14](=[O:20])[O:15][CH2:16][C:17]3([CH3:18])[CH3:19])[n:12]2)[cH:6][cH:7]1