HRID2314399

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID19220

1-Benzyl-4-piperidone

C12H15NO

HCID28486

Lithium ion

Li+

HCID95213

O-Isopropyl acetaminophen

C11H15NO2

HCID166653

Hydride

H-

HCID5062348

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CC(C)Oc1ccc(NC(=O)CC2(O)CCN(Cc3ccccc3)CC2)cc1

HCID18002919

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-198eefc6c63d42d49f1215e4ac8fb9f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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