HRID195343

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID19750

4-Chloro-4'-fluorobutyrophenone

C10H10ClFO

HCID30165

Iodide ion

I-

HCID88278

Piperidine, 4-(diphenylmethyl)-

C18H21N

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：O=C(CCCN1CCC(C(c2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1

HCID21528588

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-63d431ba09c043e9bc656bd769c319f3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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