HRID672459

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID2795029

2-Chloro-6-methoxy-3-nitropyridine

C6H5ClN2O3

HCID23562647

1,1-Dimethylethyl N-[1-(2-aminoethyl)-4-piperidinyl]carbamate

C12H25N3O2

PRODUCTS

生成物

结构：COc1ccc([N+](=O)[O-])c(NCCN2CCC(NC(=O)OC(C)(C)C)CC2)n1

HCID86635327

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-030020d0ef3d45d196008f124843e12d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:30](=[O:31])([O-:32])[O-:33].[CH3:36][C:37]#[N:38].[Cl:1][c:2]1[n:3][c:4]([O:11][CH3:12])[cH:5][cH:6][c:7]1[N+:8](=[O:9])[O-:10].[K+:34].[K+:35].[NH2:13][CH2:14][CH2:15][N:16]1[CH2:17][CH2:18][CH:19]([NH:22][C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH2:20][CH2:21]1.[O:39]=[CH:40][N:41]([CH3:42])[CH3:43]>>[c:2]1([NH:13][CH2:14][CH2:15][N:16]2[CH2:17][CH2:18][CH:19]([NH:22][C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH2:20][CH2:21]2)[n:3][c:4]([O:11][CH3:12])[cH:5][cH:6][c:7]1[N+:8](=[O:9])[O-:10]