HRID502435

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：COc1cc(OCc2nnn[nH]2)cc(C(=O)NC2CCNCC2)c1

HCID178493414

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OCc2nnn[nH]2)cc(C(=O)NC2CCN(Cc3cc(OC(C)C)cc(OC(C)C)c3)CC2)c1

HCID178493415

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-methoxy-N-piperidin-4-yl-5-(1H-tetrazol-5-ylmethoxy)-benzamide (example 170c) 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 off-white solid. MS: 539.4 (MH+).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c82f7570e3ed41989e7ad4fac7cb24ff
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

[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:15]=[C:16]([O:18][CH2:19][C:20]2[NH:24][N:23]=[N:22][N:21]=2)[CH:17]=1)[C:6]([NH:8][CH:9]1[CH2:14][CH2:13][NH:12][CH2:11][CH2:10]1)=[O:7].[CH:25]([O:28][C:29]1[CH:30]=[C:31]([CH:34]=[C:35]([O:37][CH:38]([CH3:40])[CH3:39])[CH:36]=1)[CH:32]=O)([CH3:27])[CH3:26].C([BH3-])#N.[Na+].C(N(C(C)C)C(C)C)C>C(O)C.C(O)(=O)C>[CH:38]([O:37][C:35]1[CH:34]=[C:31]([CH:30]=[C:29]([O:28][CH:25]([CH3:27])[CH3:26])[CH:36]=1)[CH2:32][N:12]1[CH2:11][CH2:10][CH:9]([NH:8][C:6](=[O:7])[C:5]2[CH:15]=[C:16]([O:18][CH2:19][C:20]3[NH:21][N:22]=[N:23][N:24]=3)[CH:17]=[C:3]([O:2][CH3:1])[CH:4]=2)[CH2:14][CH2:13]1)([CH3:39])[CH3:40]