HRID683886

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID12709479

5-Chloro-1-[4-(trifluoromethyl)phenyl]pentan-1-one

C12H12ClF3O

HCID16757255

2-methyl-N-[3-(4-piperidyl)phenyl]propanamide

C15H22N2O

PRODUCTS

生成物

结构：CC(C)C(=O)Nc1cccc(C2CCN(CCCCC(=O)c3ccc(C(F)(F)F)cc3)CC2)c1

HCID22049207

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0236fef3900e47e69f172ac48dd25e31
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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