HRID154990

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

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID3614199

5-Methyl-2-pyridinesulfonamide

C6H8N2O2S

HCID5462222

Potassium

HCID10545706

4,6-Dichloro-5-(2-methoxyphenoxy)-2,2'-bipyrimidine

C15H10Cl2N4O2

PRODUCTS

生成物

结构：COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1NS(=O)(=O)c1ccc(C)cn1

HCID22729416

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35cdcacaaadd43909d5a4c9da54b5b27
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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