HRID90955

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8082

Piperidine

C5H11N

HCID31348

Citrate

C6H5O7-3

HCID15886675

N-(4-Phenylpiperidin-4-yl)acetamide

C13H18N2O

HCID18930277

未命名化合物

PRODUCTS

产物

HCID311

Citric Acid

C6H8O7

HCID18930280

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-fece4fc37b45483c85af1c7b61d82f0f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[C:1]([CH3:2])(=[O:3])[NH:4][C:5]1([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[CH2:6][CH2:7][NH:8][CH2:9][CH2:10]1.[C:23]([CH3:24])(=[O:25])[O:26][CH:27]([CH:28]([CH2:29][CH:30]=[O:31])[c:32]1[cH:33][c:34]([Cl:39])[c:35]([Cl:38])[cH:36][cH:37]1)[c:40]1[cH:41][cH:42][n:43][n:44]1-[c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[C:51]([CH2:52][C:53]([OH:54])([C:55](=[O:56])[O-:57])[CH2:58][C:59](=[O:60])[O-:61])(=[O:62])[O-:63].[CH2:17]1[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]1.[OH2:64]>>[C:1]([CH3:2])(=[O:3])[NH:4][C:5]1([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[CH2:6][CH2:7][N:8]([CH2:30][CH2:29][CH:28]([CH:27]([O:26][C:23]([CH3:24])=[O:25])[c:40]2[cH:41][cH:42][n:43][n:44]2-[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:32]2[cH:33][c:34]([Cl:39])[c:35]([Cl:38])[cH:36][cH:37]2)[CH2:9][CH2:10]1.[C:51]([CH2:52][C:53]([OH:54])([C:55](=[O:56])[OH:57])[CH2:58][C:59](=[O:60])[OH:61])(=[O:62])[OH:63]