HRID667405

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31374

Dimethylacetamide

C4H9NO

HCID2736299

1,3-Dimethyl-1H-pyrazole-5-carbonyl chloride

C6H7ClN2O

反应SMILES：Nc1cccc(Oc2ccc3nc(NC(=O)CC4CC4)cn3n2)c1

HCID57505552

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)CC5CC5)cn4n3)c2)n(C)n1

HCID57505554

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7d09cf1284c14b8580d5835f5ed6a028
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

[CH3:25][n:26]1[n:27][c:28]([CH3:34])[cH:29][c:30]1[C:31](=[O:32])[Cl:33].[CH3:35][N:36]([CH3:37])[C:38](=[O:39])[CH3:40].[NH2:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][c:9]3[n:10]([n:11]2)[cH:12][c:13]([NH:15][C:16]([CH2:17][CH:18]2[CH2:19][CH2:20]2)=[O:21])[n:14]3)[cH:22][cH:23][cH:24]1>>[NH:1]([c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][c:9]3[n:10]([n:11]2)[cH:12][c:13]([NH:15][C:16]([CH2:17][CH:18]2[CH2:19][CH2:20]2)=[O:21])[n:14]3)[cH:22][cH:23][cH:24]1)[C:31]([c:30]1[n:26]([CH3:25])[n:27][c:28]([CH3:34])[cH:29]1)=[O:32]