HRID162338

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID6386

tert-Butyl alcohol

C4H10O

HCID30165

Iodide ion

I-

HCID74499

Trimethylsulfoxonium

C3H9OS+

HCID166653

Hydride

H-

HCID4574913

未命名化合物

HCID11332793

1-pyridin-4-ylpiperidin-4-one

C10H12N2O

HCID23447383

未命名化合物

PRODUCTS

生成物

结构：O=C1CN(C(=O)OCc2ccccc2)C=CN1CC1(O)CCN(c2ccncc2)CC1

HCID23447596

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5bc420e3d4b14a43a3f67c627c7c4167
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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