HRID198166

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

HCID1096407

3-(pyrrolidin-1-ylmethyl)aniline

C11H16N2

结构：CC(C)(C)c1ccc(N2C(=O)N(Cc3ccnc(Cl)c3)C(C)(C)C2=O)cc1

HCID57625971

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(N2C(=O)N(Cc3ccnc(Nc4cccc(CN5CCCC5)c4)c3)C(C)(C)C2=O)cc1

HCID57625987

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-087a1c396a29406185c44b70efefb2eb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([N:11]2[C:12](=[O:27])[N:13]([CH2:19][c:20]3[cH:21][c:22]([Cl:26])[n:23][cH:24][cH:25]3)[C:14]([CH3:17])([CH3:18])[C:15]2=[O:16])[cH:9][cH:10]1.[C:41](=[O:42])([O-:43])[O-:44].[C:53]([O-:54])(=[O:55])[CH3:56].[C:57]([O-:58])(=[O:59])[CH3:60].[Cs+:45].[Cs+:46].[N:28]1([CH2:33][c:34]2[cH:35][c:36]([NH2:37])[cH:38][cH:39][cH:40]2)[CH2:29][CH2:30][CH2:31][CH2:32]1.[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[Pd+2:61]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([N:11]2[C:12](=[O:27])[N:13]([CH2:19][c:20]3[cH:21][c:22]([NH:37][c:36]4[cH:35][c:34]([CH2:33][N:28]5[CH2:29][CH2:30][CH2:31][CH2:32]5)[cH:40][cH:39][cH:38]4)[n:23][cH:24][cH:25]3)[C:14]([CH3:17])([CH3:18])[C:15]2=[O:16])[cH:9][cH:10]1