HRID103412

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

结构：Cc1ccc(S(=O)(=O)Sc2cc(C)c(CO)cc2C(C)(C)C)cc1

HCID10499026

未命名化合物

HCID54688331

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(SC2=C(O)CC(CCc3ccoc3)(C(C)C)OC2=O)c(C(C)(C)C)cc1CO

HCID54676107

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-befe935aa4c744b4b92b68ec94659e16
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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