HRID312701

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID2779250

5-Fluoro-2-nitroanisole

C7H6FNO3

HCID17750356

tert-Butyl 4-(piperidin-4-yl)piperazine-1-carboxylate

C14H27N3O2

PRODUCTS

生成物

结构：COc1cc(N2CCC(N3CCN(C(=O)OC(C)(C)C)CC3)CC2)ccc1[N+](=O)[O-]

HCID58071495

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-817872654c924a97be23707059c69f9a
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

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