HRID2345796

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：COCCCOc1cc(C(=O)N(CC2CN(C(=O)OC(C)(C)C)CC2CN(C(=O)N(C)c2ccccc2)C2CC2)C(C)C)ccc1OC

HCID68615827

未命名化合物

PRODUCTS

生成物

结构：COCCCOc1cc(C(=O)N(CC2CNCC2CN(C(=O)N(C)c2ccccc2)C2CC2)C(C)C)ccc1OC

HCID68629901

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-771aa9898ba747b088bdada2036dd369
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]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH:10]([CH2:34][N:35]([C:36](=[O:37])[N:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[CH3:45])[CH:46]2[CH2:47][CH2:48]2)[CH:11]([CH2:13][N:14]([C:15]([c:16]2[cH:17][c:18]([O:24][CH2:25][CH2:26][CH2:27][O:28][CH3:29])[c:19]([O:22][CH3:23])[cH:20][cH:21]2)=[O:30])[CH:31]([CH3:32])[CH3:33])[CH2:12]1)([CH3:5])([CH3:6])[CH3:7].[ClH:49].[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1>>[NH:8]1[CH2:9][CH:10]([CH2:34][N:35]([C:36](=[O:37])[N:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[CH3:45])[CH:46]2[CH2:47][CH2:48]2)[CH:11]([CH2:13][N:14]([C:15]([c:16]2[cH:17][c:18]([O:24][CH2:25][CH2:26][CH2:27][O:28][CH3:29])[c:19]([O:22][CH3:23])[cH:20][cH:21]2)=[O:30])[CH:31]([CH3:32])[CH3:33])[CH2:12]1