HRID306113

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

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)ncnc1Nc1ccc(S(C)(=O)=O)nc1

HCID86597360

未命名化合物

PRODUCTS

生成物

结构：CC(=O)c1c(Nc2ccc(S(C)(=O)=O)nc2)ncnc1N1CCC(c2nc(C(C)C)no2)CC1

HCID58216365

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1c7d62260bb41bd9cfbeaef85abd604
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:37](=[O:38])([O-:39])[O-:40].[CH:23]([CH3:24])([CH3:25])[c:26]1[n:27][o:28][c:29]([CH:31]2[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]2)[n:30]1.[CH:44]([N:45]([CH3:46])[CH3:47])=[O:48].[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]([NH:11][c:12]2[cH:13][n: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].[ClH:22].[K+:41].[K+:42].[OH2:43]>>[c:2]1([N:34]2[CH2:33][CH2:32][CH:31]([c:29]3[o:28][n:27][c:26]([CH:23]([CH3:24])[CH3:25])[n:30]3)[CH2:36][CH2:35]2)[n:3][cH:4][n:5][c:6]([NH:11][c:12]2[cH:13][n: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]