HRID2310852

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

HCID18970459

3-Chloro-1-methyl-1H-pyrazole-5-carboxylic acid

C5H5ClN2O2

结构：Cc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)cc1N

HCID57505476

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)cc1NC(=O)c1cc(Cl)nn1C

HCID57505675

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-072c49203f4140cb895051951f72165a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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