HRID178052

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID7971

3-Pyridinol

C5H5NO

HCID19660

Carbonate

CO3-2

结构：Cc1ccc(S(=O)(=O)OCCNC2=C(c3ccccc3)S(=O)(=O)N(C(C)(C)C)C2=O)cc1

HCID86625866

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)N1C(=O)C(NCCOc2cccnc2)=C(c2ccccc2)S1(=O)=O

HCID67243673

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e71908ea209740bd96f37fff2e254010
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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