HRID1216631

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

结构：Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c(Cl)cc1F

HCID57505449

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c(Cl)cc2F)n(C)n1

HCID57505597

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11166e12c9904111b61bfb6fe4b09081
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:26][n:27]1[n:28][c:29]([CH3:35])[cH:30][c:31]1[C:32](=[O:33])[Cl:34].[CH3:36][N:37]([CH3:38])[C:39](=[O:40])[CH3:41].[NH2:1][c:2]1[c:3]([F:25])[cH:4][c:5]([Cl:24])[c:6]([O:7][c:8]2[cH:9][cH:10][c:11]3[n:12]([n:13]2)[cH:14][c:15]([NH:17][C:18](=[O:19])[CH:20]2[CH2:21][CH2:22]2)[n:16]3)[cH:23]1>>[NH:1]([c:2]1[c:3]([F:25])[cH:4][c:5]([Cl:24])[c:6]([O:7][c:8]2[cH:9][cH:10][c:11]3[n:12]([n:13]2)[cH:14][c:15]([NH:17][C:18](=[O:19])[CH:20]2[CH2:21][CH2:22]2)[n:16]3)[cH:23]1)[C:32]([c:31]1[n:27]([CH3:26])[n:28][c:29]([CH3:35])[cH:30]1)=[O:33]