HRID2312075

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(C)(O)CNc1ccc(S(=O)(=O)Oc2ccc3nc(NC(=O)CCC4CCN(C(=O)OC(C)(C)C)CC4)sc3c2)cc1

HCID57980827

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CC(C)(O)CNc1ccc(S(=O)(=O)Oc2ccc3nc(NC(=O)CCC4CCNCC4)sc3c2)cc1

HCID57980832

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a0a6888666594c86a6e096b9f9da4c12
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][CH2:10][CH:11]([CH2:14][CH2:15][C:16]([NH:17][c:18]2[s:19][c:20]3[c:21]([n:22]2)[cH:23][cH:24][c:25]([O:27][S:28](=[O:29])(=[O:30])[c:31]2[cH:32][cH:33][c:34]([NH:37][CH2:38][C:39]([CH3:40])([CH3:41])[OH:42])[cH:35][cH:36]2)[cH:26]3)=[O:43])[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[ClH:44].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1>>[ClH:44].[NH:8]1[CH2:9][CH2:10][CH:11]([CH2:14][CH2:15][C:16]([NH:17][c:18]2[s:19][c:20]3[c:21]([n:22]2)[cH:23][cH:24][c:25]([O:27][S:28](=[O:29])(=[O:30])[c:31]2[cH:32][cH:33][c:34]([NH:37][CH2:38][C:39]([CH3:40])([CH3:41])[OH:42])[cH:35][cH:36]2)[cH:26]3)=[O:43])[CH2:12][CH2:13]1