HRID150998

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5975

Cyanide

CN-

2 次

HCID23938

Palladium

2 次

HCID23994

Zinc

HCID31374

Dimethylacetamide

C4H9NO

HCID32051

Zinc (II) cation

Zn+2

HCID95417

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

C17H14O

3 次

HCID2796614

ethyl 2-chloronicotinate

C8H8ClNO2

PRODUCTS

生成物

HCID12747366

Ethyl 2-cyanopyridine-3-carboxylate

C9H8N2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-138f45b348c249c786dcede365323414
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

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