HRID193499

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID6342

Acetonitrile

C2H3N

HCID7320

Benzoic acid, 4-chloro-3-nitro-

C7H4ClNO4

HCID8471

Triethylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

HCID75539

1-Octadecanamine, N-methyl-

C19H41N

PRODUCTS

生成物

结构：CCCCCCCCCCCCCCCCCCN(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1

HCID14323647

4-Chloro-N-methyl-3-nitro-N-octadecylbenzamide

C26H43ClN2O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f7c6e10702945d7b3e0fcbbb6706bf5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:18][C:19]#[N:20].[CH3:21][NH:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40].[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[CH:41]([Cl:42])([Cl:43])[Cl:44].[N+:5](=[O:6])([O-:7])[c:8]1[cH:9][c:10]([C:11](=[O:12])[OH:13])[cH:14][cH:15][c:16]1[Cl:17].[OH2:45].[S:1]([Cl:2])([Cl:3])=[O:4]>>[N+:5](=[O:6])([O-:7])[c:8]1[cH:9][c:10]([C:11](=[O:13])[N:22]([CH3:21])[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40])[cH:14][cH:15][c:16]1[Cl:17]