HRID1212490

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID1140

Toluene

C7H8

HCID7449

3-Nitrobenzaldehyde

C7H5NO3

HCID8028

Tetrahydrofuran

C4H8O

2 次

HCID875218

N,N-diethyl-4-iodobenzamide

C11H14INO

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

产物

反应SMILES：CCN(CC)C(=O)c1ccc(C(O)c2cccc([N+](=O)[O-])c2)cc1

HCID58906331

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6879b354826e42588db74d3e7215f574
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

[CH2:1]([CH3:2])[N:3]([C:4]([c:5]1[cH:6][cH:7][c:8]([I:11])[cH:9][cH:10]1)=[O:12])[CH2:13][CH3:14].[CH2:33]1[O:34][CH2:35][CH2:36][CH2:37]1.[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:15][CH2:16][CH2:17][CH2:18][Li:19].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[Cl-:31].[N+:20](=[O:21])([O-:22])[c:23]1[cH:24][c:25]([CH:26]=[O:27])[cH:28][cH:29][cH:30]1.[NH4+:32]>>[CH2:1]([CH3:2])[N:3]([C:4]([c:5]1[cH:6][cH:7][c:8]([CH:26]([c:25]2[cH:24][c:23]([N+:20](=[O:21])[O-:22])[cH:30][cH:29][cH:28]2)[OH:27])[cH:9][cH:10]1)=[O:12])[CH2:13][CH3:14]