HRID696598

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID31374

Dimethylacetamide

C4H9NO

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID2769592

3-Methyl-1-phenyl-1H-pyrazole-5-carboxylic acid

C11H10N2O2

结构：Nc1cccc(Sc2ccc3nc(NC(=O)C4CC4)cn3n2)c1

HCID57505470

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)Nc2cccc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)c2)n(-c2ccccc2)n1

HCID57505469

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f89cfe262d2b41329a90cdc10170fbc4
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

[CH3:16][N:17]([CH3:18])[CH:19]=[O:20].[CH3:1][c:2]1[n:3][n:4](-[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[c:5]([C:7](=[O:8])[OH:9])[cH:6]1.[CH3:50][N:51]([CH3:52])[C:53](=[O:54])[CH3:55].[Cl:21][C:22]([C:23]([Cl:24])=[O:25])=[O:26].[NH2:27][c:28]1[cH:29][c:30]([S:34][c:35]2[cH:36][cH:37][c:38]3[n:39]([n:40]2)[cH:41][c:42]([NH:44][C:45](=[O:46])[CH:47]2[CH2:48][CH2:49]2)[n:43]3)[cH:31][cH:32][cH:33]1.[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1>>[CH3:1][c:2]1[n:3][n:4](-[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[c:5]([C:7](=[O:9])[NH:27][c:28]2[cH:29][c:30]([S:34][c:35]3[cH:36][cH:37][c:38]4[n:39]([n:40]3)[cH:41][c:42]([NH:44][C:45](=[O:46])[CH:47]3[CH2:48][CH2:49]3)[n:43]4)[cH:31][cH:32][cH:33]2)[cH:6]1