HRID125355

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID6212

Chloroform

CHCl3

HCID6342

Acetonitrile

C2H3N

结构：O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Cl

HCID1547956

1-chloro-2-nitro-4-[(trifluoromethyl)sulfonyl]benzene

C7H3ClF3NO4S

HCID3584242

未命名化合物

PRODUCTS

生成物

结构：O=[N+]([O-])c1ccccc1NCC(O)COc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-]

HCID18185354

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e6f5f96b70742789d23d9192e1d78d6
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

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