HRID190779

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11470

4-Acetylbenzoic acid

C9H8O3

HCID81531

Diisopropylethylamine

C8H19N

HCID22057981

未命名化合物

PRODUCTS

生成物

结构：CC(=O)c1ccc(C(=O)Nc2cc(NC(=O)c3cccc(N(C)C)c3)ccc2C)cc1

HCID23443337

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0164d53bdb324b1ca4eabf305c8f8050
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:1]([CH3:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[OH:10])[cH:11][cH:12]1.[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[NH2:13][c:14]1[cH:15][c:16]([NH:21][C:22]([c:23]2[cH:24][c:25]([N:29]([CH3:30])[CH3:31])[cH:26][cH:27][cH:28]2)=[O:32])[cH:17][cH:18][c:19]1[CH3:20].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46]>>[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:10])[NH:13][c:14]2[cH:15][c:16]([NH:21][C:22]([c:23]3[cH:24][c:25]([N:29]([CH3:30])[CH3:31])[cH:26][cH:27][cH:28]3)=[O:32])[cH:17][cH:18][c:19]2[CH3:20])[cH:11][cH:12]1