HRID314833

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID141107

Ethyl 3-(4-bromophenyl)prop-2-enoate

C11H11BrO2

HCID2756613

1-benzylpyrrolidin-3-amine

C11H16N2

PRODUCTS

生成物

结构：CCOC(=O)C=Cc1ccc(NC2CCN(Cc3ccccc3)C2)cc1

HCID178470966

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b597ef5c0fd0437a9ac426a60414a38a
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][cH:4][c:5]([CH:8]=[CH:9][C:10](=[O:11])[O:12][CH2:13][CH3:14])[cH:6][cH:7]1.[C:15](=[O:16])([O-:17])[O-:18].[CH2:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[N:28]1[CH2:29][CH:30]([NH2:33])[CH2:31][CH2:32]1.[Cl-:34].[Cs+:19].[Cs+:20].[NH4+:35].[O-:43][C:44]([CH3:45])=[O:46].[O-:47][C:48]([CH3:49])=[O:50].[O:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1.[Pd+2:42]>>[c:2]1([NH:33][CH:30]2[CH2:29][N:28]([CH2:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[CH2:32][CH2:31]2)[cH:3][cH:4][c:5]([CH:8]=[CH:9][C:10](=[O:11])[O:12][CH2:13][CH3:14])[cH:6][cH:7]1