HRID290478

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID7806

p-Bromoclorobenzene

C6H4BrCl

HCID8857

Ethyl acetate

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID1268291

4-Amino-1-Boc-piperidine

C10H20N2O2

HCID4574913

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Nc2ccc(Cl)cc2)CC1

HCID1491503

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dfb0a4f0c3484b68ad6d2dd5f509ecce
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]([Cl:8])[cH:6][cH:7]1.[C:42]([O-:43])(=[O:44])[CH3:45].[C:47]([O-:48])(=[O:49])[CH3:50].[CH3:23][C:24]([CH3:25])([O-:26])[CH3:27].[CH3:29][CH2:30][O:31][C:32](=[O:33])[CH3:34].[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[NH2:9][CH:10]1[CH2:11][CH2:12][N:13]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:14][CH2:15]1.[Na+:28].[OH2:51].[Pd+2:46]>>[c:2]1([NH:9][CH:10]2[CH2:11][CH2:12][N:13]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:14][CH2:15]2)[cH:3][cH:4][c:5]([Cl:8])[cH:6][cH:7]1