HRID88376

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID100614

1-((Pyrrolidine-1-carbonyl)methyl)piperazine

C10H19N3O

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

HCID73408763

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(C)(C)O)ccc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CC(=O)N2CCCC2)CC1

HCID178466545

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b69508849d3746f9b708982919105f00
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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