HRID668491

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID314313

2,1,3-benzothiadiazol-5-amine

C6H5N3S

HCID4574913

未命名化合物

结构：Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(S(C)(=O)=O)nc21

HCID10596157

6-(2,6-Dichlorophenyl)-8-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one

C15H11Cl2N3O3S

PRODUCTS

生成物

结构：Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc4nsnc4c3)nc21

HCID17747322

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7da7b487b29946f294e7a9fea9ad29a1
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

[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:41][S:42]([CH3:43])=[O:44].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[Cl:7][c:8]1[c:9](-[c:15]2[cH:16][c:17]3[c:18]([n:19][c:20]([S:23]([CH3:24])(=[O:25])=[O:26])[n:21][cH:22]3)[n:27]([CH3:30])[c:28]2=[O:29])[c:10]([Cl:14])[cH:11][cH:12][cH:13]1.[K+:6].[OH2:45].[n:31]1[s:32][n:33][c:34]2[c:35]1[cH:36][cH:37][c:38]([NH2:40])[cH:39]2>>[Cl:7][c:8]1[c:9](-[c:15]2[cH:16][c:17]3[c:18]([n:19][c:20]([NH:40][c:38]4[cH:37][cH:36][c:35]5[n:31][s:32][n:33][c:34]5[cH:39]4)[n:21][cH:22]3)[n:27]([CH3:30])[c:28]2=[O:29])[c:10]([Cl:14])[cH:11][cH:12][cH:13]1