HRID292297

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID962

Water

H2O

HCID4233041

3-Boc-aminopiperidine

C10H20N2O2

结构：COC(C)C(=O)Nc1c[nH]c2ncc(C(F)(F)F)c(Cl)c12

HCID67045584

未命名化合物

PRODUCTS

生成物

结构：COC(C)C(=O)Nc1c[nH]c2ncc(C(F)(F)F)c(N3CCCC(NC(=O)OC(C)(C)C)C3)c12

HCID178495566

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7c78829059f4fd69d5ca105aa1f20e6
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

[CH2:36]([OH:37])[CH2:38][CH2:39][CH3:40].[Cl:15][c:16]1[c:17]2[c:18]([n:19][cH:20][c:21]1[C:22]([F:23])([F:24])[F:25])[nH:26][cH:27][c:28]2[NH:29][C:30]([CH:31]([CH3:32])[O:33][CH3:34])=[O:35].[NH:1]1[CH2:2][CH:3]([NH:7][C:8]([O:9][C:10]([CH3:11])([CH3:12])[CH3:13])=[O:14])[CH2:4][CH2:5][CH2:6]1.[OH2:41]>>[N:1]1([c:16]2[c:17]3[c:18]([n:19][cH:20][c:21]2[C:22]([F:23])([F:24])[F:25])[nH:26][cH:27][c:28]3[NH:29][C:30]([CH:31]([CH3:32])[O:33][CH3:34])=[O:35])[CH2:2][CH:3]([NH:7][C:8]([O:9][C:10]([CH3:11])([CH3:12])[CH3:13])=[O:14])[CH2:4][CH2:5][CH2:6]1