HRID2325127

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID61147

Acetyl bromide, 2-bromo-

C2H2Br2O

HCID81531

Diisopropylethylamine

C8H19N

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

HCID22029142

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

C17H23F3N2O2

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)N1CCC(N(C(=O)CBr)c2ccc(C(F)(F)F)cc2)CC1

HCID67445908

tert-Butyl 4-[2-bromo-N-[4-(trifluoromethyl)phenyl]acetamido]piperidine-1-carboxylate

C19H24BrF3N2O3

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8a941ecfdf8b47fc8d84cf1ce459f0cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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