HRID825651

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID10510878

4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one

C5H6O4

结构：CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1

HCID135415867

Azilsartan

C25H20N4O5

PRODUCTS

生成物

结构：CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1

HCID135409642

Azilsartan medoxomil

C30H24N4O8

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49bc9ee65b9c4e90a452bdbc87a665c7
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:55](=[O:56])([O-:57])[O-:58].[CH2:1]([CH3:2])[O:3][c:4]1[n:5][c:6]2[c:7]([n:8]1[CH2:9][c:10]1[cH:11][cH:12][c:13](-[c:16]3[c:17](-[c:22]4[n:23][o:24][c:25](=[O:27])[nH:26]4)[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]1)[c:28]([C:32](=[O:33])[OH:34])[cH:29][cH:30][cH:31]2.[CH3:61][N:62]([CH3:63])[C:64](=[O:65])[CH3:66].[CH3:68][C:69](=[O:70])[CH3:71].[K+:59].[K+:60].[OH2:67].[OH:35][CH2:36][c:37]1[o:38][c:39](=[O:43])[o:40][c:41]1[CH3:42].[c:44]1([CH3:45])[cH:46][cH:47][c:48]([S:49]([Cl:50])(=[O:51])=[O:52])[cH:53][cH:54]1>>[CH2:1]([CH3:2])[O:3][c:4]1[n:5][c:6]2[c:7]([n:8]1[CH2:9][c:10]1[cH:11][cH:12][c:13](-[c:16]3[c:17](-[c:22]4[n:23][o:24][c:25](=[O:27])[nH:26]4)[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]1)[c:28]([C:32](=[O:33])[O:34][CH2:36][c:37]1[o:38][c:39](=[O:43])[o:40][c:41]1[CH3:42])[cH:29][cH:30][cH:31]2