HRID1122059

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

HCID24208845

4-[3-(Propan-2-yl)-1,2,4-oxadiazol-5-yl]piperidine

C10H17N3O

结构：CC(=O)c1c(Cl)ncnc1Oc1ccc(S(C)(=O)=O)cc1

HCID85984445

未命名化合物

PRODUCTS

生成物

结构：CC(=O)c1c(Oc2ccc(S(C)(=O)=O)cc2)ncnc1N1CCC(c2nc(C(C)C)no2)CC1

HCID58216460

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea1210623eea4f64b96b277c0777e422
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:36](=[O:37])([O-:38])[O-:39].[CH:22]([CH3:23])([CH3:24])[c:25]1[n:26][o:27][c:28]([CH:30]2[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]2)[n:29]1.[CH:43]([N:44]([CH3:45])[CH3:46])=[O:47].[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]([O:11][c:12]2[cH:13][cH:14][c:15]([S:18](=[O:19])(=[O:20])[CH3:21])[cH:16][cH:17]2)[c:7]1[C:8]([CH3:9])=[O:10].[K+:40].[K+:41].[OH2:42]>>[c:2]1([N:33]2[CH2:32][CH2:31][CH:30]([c:28]3[o:27][n:26][c:25]([CH:22]([CH3:23])[CH3:24])[n:29]3)[CH2:35][CH2:34]2)[n:3][cH:4][n:5][c:6]([O:11][c:12]2[cH:13][cH:14][c:15]([S:18](=[O:19])(=[O:20])[CH3:21])[cH:16][cH:17]2)[c:7]1[C:8]([CH3:9])=[O:10]