HRID286670

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

HCID66056

Piperazine, 2,6-dimethyl-

C6H14N2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID11278242

1-(Benzyloxy)-4-bromo-2-nitrobenzene

C13H10BrNO3

PRODUCTS

生成物

结构：CC1CN(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)CC(C)N1

HCID69197198

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-73de9377558f4a41836d1209efd4a68f
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][c:4]([N+:16](=[O:17])[O-:18])[c:5]([O:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:6][cH:7]1.[C:27](=[O:28])([O-:29])[O-:30].[C:39]([O-:40])(=[O:41])[CH3:42].[C:44]([O-:45])(=[O:46])[CH3:47].[CH3:19][CH:20]1[NH:21][CH:22]([CH3:26])[CH2:23][NH:24][CH2:25]1.[Cs+:31].[Cs+:32].[O:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1.[Pd+2:43]>>[c:2]1([N:24]2[CH2:23][CH:22]([CH3:26])[NH:21][CH:20]([CH3:19])[CH2:25]2)[cH:3][c:4]([N+:16](=[O:17])[O-:18])[c:5]([O:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:6][cH:7]1