HRID312891

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7854

Propionitrile

C3H5N

HCID15458

tert-Butyl acrylate

C7H12O2

HCID105144

Palladium(2+)

Pd+2

HCID59456970

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C=Cc1cnc2c(c1)CN(CCCN1CCOCC1)CC(=O)N2

HCID66967428

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2368abe880af4dbc894c56076ae593c4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:21][cH:22]1)[NH:6][C:7](=[O:20])[CH2:8][N:9]([CH2:11][CH2:12][CH2:13][N:14]1[CH2:15][CH2:16][O:17][CH2:18][CH2:19]1)[CH2:10]2.[C:23]([CH:24]=[CH2:25])(=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31].[C:32](#[N:33])[CH2:34][CH3:35].[CH3:41][CH2:42][O:43][CH2:44][CH3:45].[O-:47][C:48]([CH3:49])=[O:50].[O-:51][C:52]([CH3:53])=[O:54].[O:36]=[CH:37][N:38]([CH3:39])[CH3:40].[Pd+2:46]>>[c:2]1([CH:25]=[CH:24][C:23](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[cH:3][c:4]2[c:5]([n:21][cH:22]1)[NH:6][C:7](=[O:20])[CH2:8][N:9]([CH2:11][CH2:12][CH2:13][N:14]1[CH2:15][CH2:16][O:17][CH2:18][CH2:19]1)[CH2:10]2