HRID88794

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID8003

Pentane

C5H12

HCID89889

Octanamide, N-[3-(dimethylamino)propyl]-

C13H28N2O

HCID244619

未命名化合物

HCID518964

Acetic acid, chloro-, ion(1-)

C2H2ClO2-

PRODUCTS

生成物

HCID312

Chloride

Cl-

结构：CCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)OCC=C(C)CCC=C(C)C

HCID85433939

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3eb5f51be5e8443cb3782e23d2071094
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

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