HRID171610

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

HCID59456978

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C=Cc1cnc2c(c1)CN(CCN1CCOCC1)CC(=O)N2

HCID66967405

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f01f352c6bfa413ba82c2e2990d661fd
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

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