HRID502447

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID5003444

Sodium cyanotrihydroborate

CH3BNNa

HCID11310605

3,5-diisopropoxybenzaldehyde

C13H18O3

结构：CCOc1cc(CN2CCC(NC(=O)c3cc(CO)cc(OC)c3)CC2)cc(OCC)c1F

HCID68458782

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CO)cc(C(=O)NC2CCN(C(=O)c3cc(OC(C)C)cc(OC(C)C)c3)CC2)c1

HCID68455452

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID176

Acetic Acid

C2H4O2

溶剂HCID702

Ethanol

C2H6O

PROCEDURE

实验过程

In analogy to the procedure described in example 50k), 3-hydroxymethyl-5-methoxy-N-piperidin-4-yl-benzamide (example 217) was reacted with 3,5-diisopropoxy-benzaldehyde (example 126b), sodium cyanoborohydride, N-ethyl-diisopropylamine and acetic acid in ethanol at 50° C. to yield the title compound as colorless solid. MS: 471.1 (MH+).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9fb1a1380fcc444eadcfea9f1f75b259
来源数据集: uspto-grants-2010_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07772253B2
来源说明: uspto-grants-2010_08

反应 SMILES

C(OC1C=C(C=C(OCC)C=1F)C[N:8]1[CH2:13][CH2:12][CH:11]([NH:14][C:15](=[O:26])[C:16]2[CH:21]=[C:20]([O:22][CH3:23])[CH:19]=[C:18]([CH2:24][OH:25])[CH:17]=2)[CH2:10][CH2:9]1)C.[CH:34]([O:37][C:38]1[CH:39]=[C:40]([CH:43]=[C:44]([O:46][CH:47]([CH3:49])[CH3:48])[CH:45]=1)[CH:41]=[O:42])([CH3:36])[CH3:35].C([BH3-])#N.[Na+].C(N(C(C)C)C(C)C)C>C(O)C.C(O)(=O)C>[CH:47]([O:46][C:44]1[CH:43]=[C:40]([CH:39]=[C:38]([O:37][CH:34]([CH3:36])[CH3:35])[CH:45]=1)[C:41]([N:8]1[CH2:13][CH2:12][CH:11]([NH:14][C:15](=[O:26])[C:16]2[CH:21]=[C:20]([O:22][CH3:23])[CH:19]=[C:18]([CH2:24][OH:25])[CH:17]=2)[CH2:10][CH2:9]1)=[O:42])([CH3:49])[CH3:48]