HRID122224

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID4460490

tert-butyl N-(3-bromopropyl)carbamate

C8H16BrNO2

HCID22048943

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1cccc(C2CCN(CCCNC(=O)OC(C)(C)C)CC2)c1

HCID22049023

1,1-Dimethylethyl N-[3-[4-[3-(acetylamino)phenyl]-1-piperidinyl]propyl]carbamate

C21H33N3O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-488bc138ecf74923ad8f1474e5d8cacd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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