HRID2160295

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5975

Cyanide

CN-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID23938

Palladium

2 次

HCID32051

Zinc (II) cation

Zn+2

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

结构：CC(C)c1oc2c3c(ccc2c(=O)c1-c1ccc(Cl)cc1)NCCO3

HCID16749811

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1oc2c3c(ccc2c(=O)c1-c1ccc(C#N)cc1)NCCO3

HCID68701183

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-902eeb5ebd524febb391d735ef81c7cf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C-:87]#[N:88].[C-:90]#[N:91].[CH3:26][N:27]([CH3:28])[CH:29]=[O:30].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([CH:23]([CH3:24])[CH3:25])[o:10][c:11]3[c:12]4[c:17]([cH:18][cH:19][c:20]3[c:21]2=[O:22])[NH:16][CH2:15][CH2:14][O:13]4)[cH:6][cH:7]1.[O:33]=[C:34]([CH:35]=[CH:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[CH:43]=[CH:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[O:51]=[C:52]([CH:53]=[CH:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1)[CH:61]=[CH:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[O:69]=[C:70]([CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1)[CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[Pd:31].[Pd:32].[Zn+2:89]>>[c:2]1([C:26]#[N:27])[cH:3][cH:4][c:5](-[c:8]2[c:9]([CH:23]([CH3:24])[CH3:25])[o:10][c:11]3[c:12]4[c:17]([cH:18][cH:19][c:20]3[c:21]2=[O:22])[NH:16][CH2:15][CH2:14][O:13]4)[cH:6][cH:7]1