HRID1214832

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID54682123

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)Oc2c([N+](=O)[O-])c(=O)n(C)c3ccccc23)cc1

HCID60145177

1-Methyl-3-nitro-2-oxo-1,2-dihydroquinolin-4-yl 4-methylbenzene-1-sulfonate

C17H14N2O6S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9951b47caf8841d9a2f89d9c4f7899e6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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