HRID939369

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8058

n-Hexane

C6H14

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID533868

2-(benzyloxy)-1-ethanamine

C9H13NO

HCID2784819

2,4-Dichloro-6-methyl-3-nitropyridine

C6H4Cl2N2O2

HCID178429131

未命名化合物

HCID178433492

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(NCCOCc2ccccc2)c([N+](=O)[O-])c(Cl)n1

HCID21913088

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d094cb5e6b61478ea1b64721838f2e59
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:46]([c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[O:53][CH2:54][CH2:55][NH2:56].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[CH3:68][CH2:69][CH2:70][CH2:71][CH2:72][CH3:73].[Cl:8][c:9]1[n:10][c:11]([CH3:19])[cH:12][c:13]([Cl:18])[c:14]1[N+:15](=[O:16])[O-:17].[ClH:45].[OH:20][c:21]1[c:22]([N+:23]([O-:24])=[O:25])[c:26]([OH:27])[cH:28][c:29]([CH3:30])[n:31]1.[OH:32][c:33]1[c:34]([N+:35]([O-:36])=[O:37])[c:38]([OH:39])[c:40]([CH3:41])[c:42]([CH3:43])[n:44]1>>[Cl:8][c:9]1[n:10][c:11]([CH3:19])[cH:12][c:13]([NH:56][CH2:55][CH2:54][O:53][CH2:46][c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:14]1[N+:15](=[O:16])[O-:17]