HRID2330585

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID1049

Pyridine

C5H5N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID211166

Benzenamine, 3-(4-nitrophenoxy)-

C12H10N2O3

HCID57149538

3-(2-Cyanopropan-2-yl)benzoic acid

C11H11NO2

PRODUCTS

生成物

结构：CC(C)(C#N)c1cccc(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1

HCID57386826

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c67875fa1fd845e3b8bc8c84ac6b289d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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