HRID202223

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6342

Acetonitrile

C2H3N

HCID12496130

N,N-Diethylheptan-1-amine

C11H25N

HCID54303390

未命名化合物

PRODUCTS

产物

HCID85570

Tosylate

C7H7O3S-

反应SMILES：CCCCCCC[N+](CC)(CC)CC=CCc1ccc(Cl)cc1

HCID54183174

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e9164068f8fb4ee384bc3bd3248ba377
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

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