HRID192412

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

HCID2743794

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

C7H10N2O2

结构：Cc1ccc(Oc2ccc3nc(NC(=O)C4CC4)nn3c2)cc1N

HCID57749401

未命名化合物

PRODUCTS

生成物

结构：CCn1nc(C)cc1C(=O)Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)nn3c2)ccc1C

HCID57749224

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-668b617e74c742fa8f5c34469e2cbb52
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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