HRID119983

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID186669

1H-Imidazole, 1-heptyl-

C10H18N2

结构：CC(=O)Nc1ccc(CCCCOS(=O)(=O)c2ccc(C)cc2)cc1

HCID53844202

未命名化合物

PRODUCTS

生成物

HCID85570

Tosylate

C7H7O3S-

结构：CCCCCCCn1cc[n+](CCCCc2ccc(NC(C)=O)cc2)c1

HCID178443956

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-805ae83ed9564ef39a1583b97ee0d651
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]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][cH:7][c:8]([CH2:11][CH2:12][CH2:13][CH2:14][O:15][S:16](=[O:17])(=[O:18])[c:19]2[cH:20][cH:21][c:22]([CH3:25])[cH:23][cH:24]2)[cH:9][cH:10]1.[CH2:26]([CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH3:32])[n:33]1[cH:34][n:35][cH:36][cH:37]1>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][cH:7][c:8]([CH2:11][CH2:12][CH2:13][CH2:14][n+:35]2[cH:34][n:33]([CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH3:32])[cH:37][cH:36]2)[cH:9][cH:10]1.[O:15]=[S:16](=[O:17])([O-:18])[c:19]1[cH:20][cH:21][c:22]([CH3:25])[cH:23][cH:24]1