HRID1232032

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：Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(C(=O)OC(C)(C)C)CC1

HCID136355248

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCNCC1

HCID135430750

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1cbb7229614c419db5a3e854d55d2dd0
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]([C:14](=[O:15])[NH:16][CH2:17][c:18]2[c:19]([CH3:41])[cH:20][c:21]([C:22](=[O:23])[N:24]3[CH2:25][c:26]4[c:27]([n:35]([CH3:38])[n:36][cH:37]4)[NH:28][c:29]4[c:30]3[cH:31][cH:32][cH:33][cH:34]4)[cH:39][cH:40]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[ClH:42].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1>>[ClH:42].[NH:8]1[CH2:9][CH2:10][N:11]([C:14](=[O:15])[NH:16][CH2:17][c:18]2[c:19]([CH3:41])[cH:20][c:21]([C:22](=[O:23])[N:24]3[CH2:25][c:26]4[c:27]([n:35]([CH3:38])[n:36][cH:37]4)[NH:28][c:29]4[c:30]3[cH:31][cH:32][cH:33][cH:34]4)[cH:39][cH:40]2)[CH2:12][CH2:13]1