HRID672162

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID1567

2-Mercaptoethanol

C2H6OS

HCID31374

Dimethylacetamide

C4H9NO

HCID166653

Hydride

H-

结构：COc1cccc(Oc2c(Cl)ncnc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1

HCID15391273

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2SCCO)c1

HCID11762692

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-79b2819f999343a1b9e67e9e8e627ba2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:7]([CH3:8])([CH3:9])([CH3:10])[c:11]1[cH:12][cH:13][c:14]([S:17](=[O:18])(=[O:19])[NH:20][c:21]2[n:22][cH:23][n:24][c:25]([Cl:36])[c:26]2[O:27][c:28]2[cH:29][c:30]([O:34][CH3:35])[cH:31][cH:32][cH:33]2)[cH:15][cH:16]1.[CH3:38][C:39]([N:40]([CH3:41])[CH3:42])=[O:43].[ClH:37].[H-:5].[Na+:6].[SH:1][CH2:2][CH2:3][OH:4]>>[S:1]([CH2:2][CH2:3][OH:4])[c:25]1[n:24][cH:23][n:22][c:21]([NH:20][S:17]([c:14]2[cH:13][cH:12][c:11]([C:7]([CH3:8])([CH3:9])[CH3:10])[cH:16][cH:15]2)(=[O:18])=[O:19])[c:26]1[O:27][c:28]1[cH:29][c:30]([O:34][CH3:35])[cH:31][cH:32][cH:33]1