HRID298006

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6645

Methyl toluene-4-sulfonate

C8H10O3S

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

结构：CCCCCCN(CCCCCC)S(=O)(=O)c1ccc2nc(C)sc2c1

HCID57796621

未命名化合物

PRODUCTS

生成物

HCID85570

Tosylate

C7H7O3S-

结构：CCCCCCN(CCCCCC)S(=O)(=O)c1ccc2c(c1)sc(C)[n+]2C

HCID57796608

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d69d29adcd54a4a94f50c5919f48c34
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[N:7]([S:8](=[O:9])(=[O:10])[c:11]1[cH:12][c:13]2[c:14]([n:15][c:16]([CH3:18])[s:17]2)[cH:19][cH:20]1)[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26].[CH3:27][O:28][S:29](=[O:30])(=[O:31])[c:32]1[cH:33][cH:34][c:35]([CH3:38])[cH:36][cH:37]1.[CH3:39][CH2:40][CH2:41][CH2:42][CH2:43][CH3:44].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[N:7]([S:8](=[O:9])(=[O:10])[c:11]1[cH:12][c:13]2[c:14]([n+:15]([CH3:27])[c:16]([CH3:18])[s:17]2)[cH:19][cH:20]1)[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26].[O:28]=[S:29](=[O:30])([O-:31])[c:32]1[cH:33][cH:34][c:35]([CH3:38])[cH:36][cH:37]1