HRID1149684

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID78308

Pyridine, 2-chloro-5-nitro-

C5H3ClN2O2

结构：CCc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1O

HCID68419192

未命名化合物

PRODUCTS

生成物

结构：CCc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Oc1ccc([N+](=O)[O-])cn1

HCID68420119

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-230e749771114e84880c0873da3c98f0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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