HRID212111

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID83795

1-Acetylpiperazine

C6H12N2O

结构：CCOc1cc(C(C)(C)C)ccc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)Cl

HCID72455721

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(C)(C)C)ccc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(C(C)=O)CC1

HCID73408746

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32fcacd5330d48528466e0b5d24eaef1
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])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([O:35][CH2:36][CH3:37])[c:8]([C:11]2=[N:15][C:14]([CH3:16])([c:17]3[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]3)[C:13]([CH3:24])([c:25]3[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]3)[N:12]2[C:32](=[O:33])[Cl:34])[cH:9][cH:10]1.[C:38]([CH3:39])(=[O:40])[N:41]1[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([O:35][CH2:36][CH3:37])[c:8]([C:11]2=[N:15][C:14]([CH3:16])([c:17]3[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]3)[C:13]([CH3:24])([c:25]3[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]3)[N:12]2[C:32](=[O:33])[N:44]2[CH2:43][CH2:42][N:41]([C:38]([CH3:39])=[O:40])[CH2:46][CH2:45]2)[cH:9][cH:10]1