HRID2321316

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID18404484

Methyl 1-methylpiperazine-2-carboxylate

C7H14N2O2

结构：CCOc1cc(Cl)c(S(=O)(=O)NC(C)(C)C)cc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)Cl

HCID72455726

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(Cl)c(S(=O)(=O)NC(C)(C)C)cc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(C)C(C(=O)OC)C1

HCID178466683

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a631d37b3e2e4e1991878e51e50f924d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[c:10]([Cl:42])[cH:11][c:12]([O:39][CH2:40][CH3:41])[c:13]([C:15]2=[N:19][C:18]([CH3:20])([c:21]3[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]3)[C:17]([CH3:28])([c:29]3[cH:30][cH:31][c:32]([Cl:35])[cH:33][cH:34]3)[N:16]2[C:36](=[O:37])[Cl:38])[cH:14]1.[CH3:43][O:44][C:45](=[O:46])[CH:47]1[N:48]([CH3:53])[CH2:49][CH2:50][NH:51][CH2:52]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[c:10]([Cl:42])[cH:11][c:12]([O:39][CH2:40][CH3:41])[c:13]([C:15]2=[N:19][C:18]([CH3:20])([c:21]3[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]3)[C:17]([CH3:28])([c:29]3[cH:30][cH:31][c:32]([Cl:35])[cH:33][cH:34]3)[N:16]2[C:36](=[O:37])[N:51]2[CH2:50][CH2:49][N:48]([CH3:53])[CH:47]([C:45]([O:44][CH3:43])=[O:46])[CH2:52]2)[cH:14]1