HRID2325035

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6342

Acetonitrile

C2H3N

HCID186669

1H-Imidazole, 1-heptyl-

C10H18N2

HCID54303390

4-(4-Chlorophenyl)but-2-en-1-ol

C10H11ClO

PRODUCTS

产物

HCID85570

Tosylate

C7H7O3S-

反应SMILES：CCCCCCCn1cc[n+](CC=CCc2ccc(Cl)cc2)c1

HCID53835886

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-1c068da850334972818ff2e39182bb17
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[CH2:24]([CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])[n:31]1[cH:32][n:33][cH:34][cH:35]1.[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+:33]2[cH:32][n:31]([CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])[cH:35][cH:34]2)[cH:17][cH:18]1