HRID318449

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7972

4-Methylmorpholine

C5H11NO

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

HCID10975514

N-acetyl-N-methylglycine

C5H9NO3

HCID18923531

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(COc2cccn3cc(C)nc23)c1Cl

HCID18923285

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c8c9e0b57d24758aa9f42b636c2ebe2
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

[C:1]([Cl:2])(=[O:3])[C:4]([CH3:5])([CH3:6])[CH3:7].[C:8]([CH3:9])(=[O:10])[N:11]([CH3:12])[CH2:13][C:14](=[O:15])[OH:16].[CH3:17][N:18]1[CH2:19][CH2:20][O:21][CH2:22][CH2:23]1.[CH3:45][N:46]1[CH2:47][CH2:48][CH2:49][C:50]1=[O:51].[NH2:24][c:25]1[c:26]([Cl:44])[c:27]([CH2:28][O:29][c:30]2[c:31]3[n:32]([cH:33][cH:34][cH:35]2)[cH:36][c:37]([CH3:39])[n:38]3)[c:40]([Cl:43])[cH:41][cH:42]1>>[C:8]([CH3:9])(=[O:10])[N:11]([CH3:12])[CH2:13][C:14](=[O:16])[NH:24][c:25]1[c:26]([Cl:44])[c:27]([CH2:28][O:29][c:30]2[c:31]3[n:32]([cH:33][cH:34][cH:35]2)[cH:36][c:37]([CH3:39])[n:38]3)[c:40]([Cl:43])[cH:41][cH:42]1