HRID180219

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID7010341

4-ACETAMIDOBENZOYL CHLORIDE

C9H8ClNO2

HCID14637897

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2N)cc1

HCID59736726

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e235cbba419d47e0b24988b8e2cf3362
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

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