HRID2329759

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6228

Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7854

Propionitrile

C3H5N

HCID15458

tert-Butyl acrylate

C7H12O2

HCID105144

Palladium(2+)

Pd+2

HCID91244832

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)C=Cc1cnc2c(c1)CN1CCCC1C(=O)N2

HCID178450932

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-bb946a5dfdde41f1972e8aaba62e50c1
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

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