HRID143379

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID61778

Bisulfate anion

HO4S-

HCID737351

n-methyl-4-(trifluoromethoxy)aniline

C8H8F3NO

HCID53302252

4-(Acetyloxy)-1-(phenylmethyl)-4-piperidinecarboxylic acid

C15H19NO4

PRODUCTS

生成物

结构：CC(=O)OC1(C(=O)N(C)c2ccc(OC(F)(F)F)cc2)CCN(Cc2ccccc2)CC1

HCID58129329

4-Piperidinecarboxamide, 4-(acetyloxy)-N-methyl-1-(phenylmethyl)-N-[4-(trifluoromethoxy)phenyl]-

C23H25F3N2O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1fc6dc5f7d29428ea25200d5fb695892
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:1]([CH3:2])(=[O:3])[O:4][C:5]1([C:18](=[O:19])[OH:20])[CH2:6][CH2:7][N:8]([CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[CH2:9][CH2:10]1.[CH3:22][NH:23][c:24]1[cH:25][cH:26][c:27]([O:30][C:31]([F:32])([F:33])[F:34])[cH:28][cH:29]1.[Cl-:21].[Cl:41][CH2:42][Cl:43].[K+:40].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[S:35](=[O:36])(=[O:37])([OH:38])[O-:39]>>[C:1]([CH3:2])(=[O:3])[O:4][C:5]1([C:18](=[O:20])[N:23]([CH3:22])[c:24]2[cH:25][cH:26][c:27]([O:30][C:31]([F:32])([F:33])[F:34])[cH:28][cH:29]2)[CH2:6][CH2:7][N:8]([CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[CH2:9][CH2:10]1