HRID1559812

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID231360

Piperazin-2-one

C4H8N2O

反应SMILES：Cc1ccc(-c2c(C#N)c(CC(C)C)nc3ccc(Br)cc23)cc1

HCID51050239

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1ccc(-c2c(C#N)c(CC(C)C)nc3ccc(N4CCNC(=O)C4)cc23)cc1

HCID68830556

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f26ce4dfdeea43c6be07286b73c6996c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

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