HRID282433

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID31374

Dimethylacetamide

C4H9NO

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID587721

1,3-Dimethyl-1H-pyrazole-5-carboxylic acid

C6H8N2O2

HCID57441053

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1cn2nc(Oc3cccc(NC(=O)c4cc(C)nn4C)c3)ccc2n1

HCID57505506

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d825ae75f2d40daaf18655c8a5984f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:11][N:12]([CH3:13])[CH:14]=[O:15].[CH3:1][n:2]1[n:3][c:4]([CH3:10])[cH:5][c:6]1[C:7](=[O:8])[OH:9].[CH3:48][N:49]([CH3:50])[C:51](=[O:52])[CH3:53].[Cl:16][C:17]([C:18]([Cl:19])=[O:20])=[O:21].[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]([CH3:38])=[O:39])[n:35]3)[cH:40][cH:41][cH:42]1.[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH2:54]>>[CH3:1][n:2]1[n:3][c:4]([CH3:10])[cH:5][c:6]1[C:7](=[O:9])[NH: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]([CH3:38])=[O:39])[n:35]3)[cH:40][cH:41][cH:42]1