HRID307291

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：C=CC1CC1(NC(=O)C1CC(SC(C)C)(c2ccc(-c3ccccc3)cc2)CN1C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1

HCID178435302

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：C=CC1CC1(NC(=O)C1CC(SC(C)C)(c2ccc(-c3ccccc3)cc2)CN1C(=O)C(N)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1

HCID178435300

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cf60a9cbbaa344a4b22dd5d8b5cf30bf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[ClH:1].[O:2]1[CH2:3][CH2:4][O:5][CH2:6][CH2:7]1.[c:8]1(-[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:9][cH:10][c:11]([C:14]2([S:51][CH:52]([CH3:53])[CH3:54])[CH2:15][CH:16]([C:34]([NH:35][C:36]3([C:41]([NH:42][S:43](=[O:44])(=[O:45])[CH:46]4[CH2:47][CH2:48]4)=[O:49])[CH:37]([CH:39]=[CH2:40])[CH2:38]3)=[O:50])[N:17]([C:19]([CH:20]([C:21]([CH3:22])([CH3:23])[CH3:24])[NH:25][C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[CH2:18]2)[cH:12][cH:13]1>>[ClH:1].[c:8]1(-[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:9][cH:10][c:11]([C:14]2([S:51][CH:52]([CH3:53])[CH3:54])[CH2:15][CH:16]([C:34]([NH:35][C:36]3([C:41]([NH:42][S:43](=[O:44])(=[O:45])[CH:46]4[CH2:47][CH2:48]4)=[O:49])[CH:37]([CH:39]=[CH2:40])[CH2:38]3)=[O:50])[N:17]([C:19]([CH:20]([C:21]([CH3:22])([CH3:23])[CH3:24])[NH2:25])=[O:33])[CH2:18]2)[cH:12][cH:13]1