HRID1220844

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID24386

Thionyl chloride

Cl2OS

HCID3826051

未命名化合物

反应SMILES：COc1c(C=Cc2ccc(NS(C)(=O)=O)cc2CO)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C

HCID67066592

未命名化合物

PRODUCTS

产物

反应SMILES：COCc1cc(NS(C)(=O)=O)ccc1C=Cc1cc(-n2ccc(=O)[nH]c2=O)cc(C(C)(C)C)c1OC

HCID67066354

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9123cd7ab05a43d9a865524574ae7f24
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]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([O:34][CH3:35])[c:7]([CH:8]=[CH:9][c:10]2[c:11]([CH2:21][OH:22])[cH:12][c:13]([NH:16][S:17](=[O:18])(=[O:19])[CH3:20])[cH:14][cH:15]2)[cH:23][c:24](-[n:26]2[c:27](=[O:33])[nH:28][c:29](=[O:32])[cH:30][cH:31]2)[cH:25]1.[CH3:40][O-:41].[CH3:43][OH:44].[Cl:45][CH2:46][Cl:47].[Na+:42].[S:36]([Cl:37])([Cl:38])=[O:39]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([O:34][CH3:35])[c:7]([CH:8]=[CH:9][c:10]2[c:11]([CH2:21][O:22][CH3:40])[cH:12][c:13]([NH:16][S:17](=[O:18])(=[O:19])[CH3:20])[cH:14][cH:15]2)[cH:23][c:24](-[n:26]2[c:27](=[O:33])[nH:28][c:29](=[O:32])[cH:30][cH:31]2)[cH:25]1