HRID1127271

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID53229592

6-[4-(Methanesulfonyl)phenyl]pyridin-3-ol

C12H11NO3S

HCID57930198

{1-[3-(Propan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl}methyl methanesulfonate

C12H21N3O4S

PRODUCTS

生成物

结构：CC(C)c1noc(N2CCC(COc3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3)CC2)n1

HCID24996872

5-(((1-(3-(1-Methylethyl)-1,2,4-oxadiazol-5-yl)-4-piperidinyl)methyl)oxy)-2-(4-(methylsulfonyl)phenyl)pyridine

C23H28N4O4S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af71bacc001447f69bf1fc67c97841ed
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:38](=[O:39])([O-:40])[O-:41].[CH3:1][S:2](=[O:3])(=[O:4])[O:5][CH2:6][CH:7]1[CH2:8][CH2:9][N:10]([c:13]2[n:14][c:15]([CH:18]([CH3:19])[CH3:20])[n:16][o:17]2)[CH2:11][CH2:12]1.[CH3:21][S:22](=[O:23])(=[O:24])[c:25]1[cH:26][cH:27][c:28](-[c:31]2[cH:32][cH:33][c:34]([OH:37])[cH:35][n:36]2)[cH:29][cH:30]1.[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[K+:42].[K+:43].[OH2:49]>>[O:5]([CH2:6][CH:7]1[CH2:8][CH2:9][N:10]([c:13]2[n:14][c:15]([CH:18]([CH3:19])[CH3:20])[n:16][o:17]2)[CH2:11][CH2:12]1)[c:34]1[cH:33][cH:32][c:31](-[c:28]2[cH:27][cH:26][c:25]([S:22]([CH3:21])(=[O:23])=[O:24])[cH:30][cH:29]2)[n:36][cH:35]1