HRID207961

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

HCID53229592

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

C12H11NO3S

HCID57930076

1-[3-(1-Methylethyl)-1,2,4-oxadiazol-5-yl]-4-piperidinemethanol

C11H19N3O2

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-8c546d228ab9445ab0a678f34e2f4f34
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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