HRID1122990

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

2 次

HCID3283

Diethyl Ether

C4H10O

HCID81531

Diisopropylethylamine

C8H19N

HCID257501

2-Phenylethenesulfonamide

C8H9NO2S

HCID5462222

Potassium

HCID21979569

4,6-Dichloro-5-(4-chlorophenyl)pyrimidine

C10H5Cl3N2

PRODUCTS

生成物

结构：O=S(=O)(C=Cc1ccccc1)Nc1ncnc(Cl)c1-c1ccc(Cl)cc1

HCID74047220

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f02fb9c1b4545ae9798889e52ed955f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:30]([OH:31])(=[O:32])[CH2:33][C:34]([CH2:35][C:36]([OH:37])=[O:38])([C:39]([OH:40])=[O:41])[OH:42].[CH3:43][S:44]([CH3:45])=[O:46].[CH3:57][CH2:58][O:59][CH2:60][CH3:61].[CH:47]([N:48]([CH:49]([CH3:50])[CH3:51])[CH2:52][CH3:53])([CH3:54])[CH3:55].[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]([Cl:15])[c:7]1-[c:8]1[cH:9][cH:10][c:11]([Cl:14])[cH:12][cH:13]1.[K:16].[OH2:29].[OH2:56].[c:17]1([CH:23]=[CH:24][S:25](=[O:26])(=[O:27])[NH2:28])[cH:18][cH:19][cH:20][cH:21][cH:22]1>>[c:2]1([NH:28][S:25]([CH:24]=[CH:23][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)(=[O:26])=[O:27])[n:3][cH:4][n:5][c:6]([Cl:15])[c:7]1-[c:8]1[cH:9][cH:10][c:11]([Cl:14])[cH:12][cH:13]1