HRID1230501

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(=O)N(c1ccc(Cl)cc1)C1CC(C)N(C(=O)c2ccc(OCCCN3CCN(C(=O)OC(C)(C)C)CC3)cc2)c2ccccc21

HCID68920769

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N(c1ccc(Cl)cc1)C1CC(C)N(C(=O)c2ccc(OCCCN3CCNCC3)cc2)c2ccccc21

HCID68924969

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d7fbc8709544c508112296c39d9163a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][CH2:16][O:17][c:18]2[cH:19][cH:20][c:21]([C:24](=[O:25])[N:26]3[CH:27]([CH3:47])[CH2:28][CH:29]([N:36]([c:37]4[cH:38][cH:39][c:40]([Cl:43])[cH:41][cH:42]4)[C:44]([CH3:45])=[O:46])[c:30]4[cH:31][cH:32][cH:33][cH:34][c:35]43)[cH:22][cH:23]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[ClH:48].[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1>>[NH:8]1[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][CH2:16][O:17][c:18]2[cH:19][cH:20][c:21]([C:24](=[O:25])[N:26]3[CH:27]([CH3:47])[CH2:28][CH:29]([N:36]([c:37]4[cH:38][cH:39][c:40]([Cl:43])[cH:41][cH:42]4)[C:44]([CH3:45])=[O:46])[c:30]4[cH:31][cH:32][cH:33][cH:34][c:35]43)[cH:22][cH:23]2)[CH2:12][CH2:13]1