HRID687937

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

HCID519417

2-Fluoro-5-nitrobenzonitrile

C7H3FN2O2

结构：CC(C)(C#N)c1cccc(C(=O)Nc2cccc(O)c2)c1

HCID57386825

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C#N)c1cccc(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3C#N)c2)c1

HCID66810599

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5005ec5bd6a440fda4f130fd0d2c5f0c
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

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