HRID803984

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

5 次

HCID961

Hydroxide

HO-

HCID1117

Sulfate

O4S-2

HCID9964

4-(Trifluoromethyl)aniline

C7H6F3N

HCID735900

1-Boc-4-piperidone

C10H17NO3

HCID2724942

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Nc2ccc(C(F)(F)F)cc2)CC1

HCID22029142

tert-Butyl 4-[4-(trifluoromethyl)anilino]piperidine-1-carboxylate

C17H23F3N2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7fa1f96cba9843f983da4410ff98e1fd
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:33]([O:34][BH-:35]([O:36][C:37](=[O:38])[CH3:39])[O:40][C:41](=[O:42])[CH3:43])(=[O:44])[CH3:45].[CH3:54][C:55](=[O:56])[OH:57].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([NH2:7])[cH:8][cH:9]1)([F:10])[F:11].[Na+:26].[Na+:27].[Na+:46].[Na+:51].[Na+:53].[O-:28][S:29]([O-:30])(=[O:31])=[O:32].[O-:47][C:48]([OH:49])=[O:50].[O:12]=[C:13]1[CH2:14][CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]1.[OH-:52]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([NH:7][CH:13]2[CH2:14][CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]2)[cH:8][cH:9]1)([F:10])[F:11]