HRID302349

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID392871

1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid

C11H19NO4

HCID56971690

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)N1CCC(C(=O)NCC(=O)c2ccc(F)c(C(F)(F)F)c2)CC1

HCID53439129

tert-Butyl 4-({2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxoethyl}carbamoyl)piperidine-1-carboxylate

C20H24F4N2O4

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f3ce4c543b004c3d93e6f0c2ca899739
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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