HRID1222556

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

结构：O=C(Nc1nc2ccccc2s1)Oc1ccc([N+](=O)[O-])cc1

HCID59418676

未命名化合物

结构：CN1CCNc2cc(-c3cccc(C(=O)OC(C)(C)C)n3)ccc21

HCID59418755

1,1-Dimethylethyl 6-(1,2,3,4-tetrahydro-1-methyl-6-quinoxalinyl)-2-pyridinecarboxylate

C19H23N3O2

PRODUCTS

生成物

结构：CN1CCN(C(=O)Nc2nc3ccccc3s2)c2cc(-c3cccc(C(=O)OC(C)(C)C)n3)ccc21

HCID59418667

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e17cd2725dd24495bfb43f996bbc4f16
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][N:2]1[CH2:3][CH2:4][NH:5][c:6]2[cH:7][c:8](-[c:12]3[cH:13][cH:14][cH:15][c:16]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[n:17]3)[cH:9][cH:10][c:11]21.[CH3:47][C:48]#[N:49].[s:25]1[c:26]([NH:34][C:35]([O:36][c:38]2[cH:39][cH:40][c:41]([N+:42]([O-:43])=[O:44])[cH:45][cH:46]2)=[O:37])[n:27][c:28]2[c:29]1[cH:30][cH:31][cH:32][cH:33]2>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([C:35]([NH:34][c:26]2[s:25][c:29]3[c:28]([n:27]2)[cH:33][cH:32][cH:31][cH:30]3)=[O:36])[c:6]2[cH:7][c:8](-[c:12]3[cH:13][cH:14][cH:15][c:16]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[n:17]3)[cH:9][cH:10][c:11]21