HRID295581

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID2724440

4-(4-Fluorobenzoyl)piperidine

C12H14FNO

HCID20278942

未命名化合物

PRODUCTS

生成物

结构：CC1(C)NC(=O)c2ccccc2N1CCCN1CCC(C(=O)c2ccc(F)cc2)CC1

HCID12852067

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3274a9cba76e4bc4a7811e5f6a40ea4d
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

[CH3:43][CH:44]([CH3:45])[CH2:46][C:47](=[O:48])[CH3:49].[Cl:1][CH2:2][CH2:3][CH2:4][N:5]1[C:6]([CH3:16])([CH3:17])[NH:7][C:8](=[O:15])[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]21.[ClH:18].[F:19][c:20]1[cH:21][cH:22][c:23]([C:26](=[O:27])[CH:28]2[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]2)[cH:24][cH:25]1.[I-:41].[K+:40].[Na+:34].[Na+:35].[O-:36][C:37](=[O:38])[O-:39].[OH2:42]>>[CH2:2]([CH2:3][CH2:4][N:5]1[C:6]([CH3:16])([CH3:17])[NH:7][C:8](=[O:15])[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]21)[N:31]1[CH2:30][CH2:29][CH:28]([C:26]([c:23]2[cH:22][cH:21][c:20]([F:19])[cH:25][cH:24]2)=[O:27])[CH2:33][CH2:32]1