HRID1204852

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID283

Formic acid, ion(1-)

CHO2-

HCID284

Formic acid

CH2O2

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

结构：Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1

HCID57662940

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(N)cc1NC(=O)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1

HCID57662960

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-edcc4e8f024d46758046658fe75663a4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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