HRID173331

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

HCID247824

3-(2-Pyridinyl)-2-propenoic acid

C8H7NO2

结构：Nc1cccc(-c2cccc(Nc3ncccc3[N+](=O)[O-])c2)c1

HCID23298139

未命名化合物

PRODUCTS

生成物

结构：O=C(C=Cc1ccccn1)Nc1cccc(-c2cccc(Nc3ncccc3[N+](=O)[O-])c2)c1

HCID54202140

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8930c8dbf8f14fe496fc5b4f8e6692e9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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