HRID1569112

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9590

1-Fluoro-4-nitrobenzene

C6H4FNO2

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)OC(=O)Nc1ccc2c(c1)[nH]c1cc(O)ccc12

HCID58160239

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccc2c(c1)[nH]c1cc(Oc3ccc([N+](=O)[O-])cc3)ccc12

HCID58160248

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-69eb3b19619b4ad8954172220a6cc95a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:23](=[O:24])([O-:25])[O-:26].[F:29][c:30]1[cH:31][cH:32][c:33]([N+:36](=[O:37])[O-:38])[cH:34][cH:35]1.[K+:27].[K+:28].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[OH2:44].[OH:1][c:2]1[cH:3][cH:4][c:5]2[c:6]3[cH:7][cH:8][c:9]([NH:15][C:16]([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:22])[cH:10][c:11]3[nH:12][c:13]2[cH:14]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]3[cH:7][cH:8][c:9]([NH:15][C:16]([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:22])[cH:10][c:11]3[nH:12][c:13]2[cH:14]1)[c:30]1[cH:31][cH:32][c:33]([N+:36](=[O:37])[O-:38])[cH:34][cH:35]1