HRID687423

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(NS(=O)(=O)c3ccc(C#N)cc3)cc2C(C)(C)C)cc1

HCID10673378

未命名化合物

HCID54682278

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(SC2=C(O)CC(C)(CCc3ccc(O)cc3)OC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccc(C#N)cc1

HCID54682297

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7202496631b84e8a91eefb321c296b12
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:25]([CH3:26])([CH3:27])([CH3:28])[c:29]1[c:30]([S:48][S:49]([c:50]2[cH:51][cH:52][c:53]([CH3:54])[cH:55][cH:56]2)(=[O:57])=[O:58])[cH:31][c:32]([CH3:47])[c:33]([NH:35][S:36](=[O:37])(=[O:38])[c:39]2[cH:40][cH:41][c:42]([C:45]#[N:46])[cH:43][cH:44]2)[cH:34]1.[K+:19].[K+:20].[O-:21][C:22]([O-:23])=[O:24].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH:1][C:2]1=[CH:3][C:4](=[O:18])[O:5][C:6]([CH3:8])([CH2:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([OH:17])[cH:15][cH:16]2)[CH2:7]1>>[OH:1][C:2]1=[C:3]([S:48][c:30]2[c:29]([C:25]([CH3:26])([CH3:27])[CH3:28])[cH:34][c:33]([NH:35][S:36](=[O:37])(=[O:38])[c:39]3[cH:40][cH:41][c:42]([C:45]#[N:46])[cH:43][cH:44]3)[c:32]([CH3:47])[cH:31]2)[C:4](=[O:18])[O:5][C:6]([CH3:8])([CH2:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([OH:17])[cH:15][cH:16]2)[CH2:7]1