HRID2337825

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7854

Propionitrile

C3H5N

HCID15458

tert-Butyl acrylate

C7H12O2

HCID105144

Palladium(2+)

Pd+2

HCID59456907

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CN1CC(=O)Nc2ncc(C=CC(=O)OC(C)(C)C)cc2C1

HCID66966982

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a04fb4aca4944aedb114bc805caaf16b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:20]([CH:21]=[CH2:22])(=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28].[C:29](#[N:30])[CH2:31][CH3:32].[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][N:6]1[CH2:7][C:8](=[O:18])[NH:9][c:10]2[c:11]([cH:13][c:14]([Br:17])[cH:15][n:16]2)[CH2:12]1)=[O:19].[O-:39][C:40]([CH3:41])=[O:42].[O-:43][C:44]([CH3:45])=[O:46].[O:33]=[CH:34][N:35]([CH3:36])[CH3:37].[Pd+2:38]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][N:6]1[CH2:7][C:8](=[O:18])[NH:9][c:10]2[c:11]([cH:13][c:14]([CH:22]=[CH:21][C:20](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[cH:15][n:16]2)[CH2:12]1)=[O:19]