HRID1564915

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

HCID19980260

4-Aminopiperidin-2-one

C5H10N2O

HCID54345868

未命名化合物

PRODUCTS

生成物

结构：CCn1cc(C=CC(=O)NC2CCNC(=O)C2)nc1-c1ccccc1

HCID54500275

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8027edd1b2948b5877c749953eb9a99
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:35](=[O:36])([OH:37])[O-:38].[CH2:2]([CH3:3])[n:4]1[c:5](-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[n:6][c:7]([CH:9]=[CH:10][C:11](=[O:12])[OH:13])[cH:8]1.[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[ClH:1].[NH2:27][CH:28]1[CH2:29][C:30](=[O:31])[NH:32][CH2:33][CH2:34]1.[Na+:39].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[S:40]([Cl:41])([Cl:42])=[O:43]>>[CH2:2]([CH3:3])[n:4]1[c:5](-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[n:6][c:7]([CH:9]=[CH:10][C:11](=[O:13])[NH:27][CH:28]2[CH2:29][C:30](=[O:31])[NH:32][CH2:33][CH2:34]2)[cH:8]1