HRID293146

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7912

Diisopropylamine

C6H15N

HCID11099

p-Hydroxynorephedrine

C9H13NO2

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(C)Sc1cc(-c2ccc(OCCBr)cc2)ccc1C(=O)NS(C)(=O)=O

HCID69102535

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CC(C)Sc1cc(-c2ccc(OCCNC(C)C(O)c3ccc(O)cc3)cc2)ccc1C(=O)NS(C)(=O)=O

HCID178460715

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa13957c88b04ef5974c49f6bc986e50
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

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