HRID695525

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID31374

Dimethylacetamide

C4H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID817620

5-Bromo-2-nitropyridine

C5H3BrN2O2

HCID1514290

Azetidin-3-ol

C3H7NO

PRODUCTS

生成物

HCID59290958

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4d4d9ce95754fda87a45c0758436141
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:7][c:8]1[cH:9][cH:10][c:11]([N+:14](=[O:15])[O-:16])[n:12][cH:13]1.[CH2:27]([N+: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])[CH2:41][CH2:42][CH3:43].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[CH3:51][N:52]([CH3:53])[C:54](=[O:55])[CH3:56].[CH:17]([N:18]([CH:19]([CH3:20])[CH3:21])[CH2:22][CH3:23])([CH3:24])[CH3:25].[ClH:6].[I-:26].[OH2:44].[OH:1][CH:2]1[CH2:3][NH:4][CH2:5]1>>[OH:1][CH:2]1[CH2:3][N:4]([c:8]2[cH:9][cH:10][c:11]([N+:14](=[O:15])[O-:16])[n:12][cH:13]2)[CH2:5]1