HRID1145923

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8058

n-Hexane

C6H14

HCID4622928

Cyanomethylenetributylphosphorane

C14H28NP

反应SMILES：CC(CCCO)C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1

HCID59750895

未命名化合物

PRODUCTS

产物

反应SMILES：CC1CCCC1(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1

HCID59750753

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-07544a10b44341f8b1f0675710c9e188
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[C:26]([CH:27]=[P:28]([CH2:29][CH2:30][CH2:31][CH3:32])([CH2:33][CH2:34][CH2:35][CH3:36])[CH2:37][CH2:38][CH2:39][CH3:40])#[N:41].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH3:49][CH2:50][CH2:51][CH2:52][CH2:53][CH3:54].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[CH:11]([CH:12]([CH2:13][CH2:14][CH2:15][OH:16])[CH3:17])[c:18]2[c:19]([F:25])[cH:20][cH:21][c:22]([F:24])[cH:23]2)[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[C:11]2([c:18]3[c:19]([F:25])[cH:20][cH:21][c:22]([F:24])[cH:23]3)[CH:12]([CH3:17])[CH2:13][CH2:14][CH2:15]2)[cH:6][cH:7]1