HRID502442

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID5003444

Sodium cyanotrihydroborate

CH3BNNa

HCID58706331

未命名化合物

结构：CCOc1cc(CN2CCC(NC(=O)c3cccc(-c4nn[nH]n4)c3)CC2)cc(OCC)c1F

HCID68456697

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(CN2CCC(NC(=O)c3cccc(-c4nn[nH]n4)c3)CC2)cc(OCC)c1-n1cncn1

HCID68455412

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), N-piperidin-4-yl-3-(1H-tetrazol-5-yl)-benzamide (example 178) was reacted with 3,5-diethoxy-4-[1,2,4]triazol-1-yl-benzaldehyde (example 129a), sodium cyanoborohydride, N-ethyl-diisopropylamine and acetic acid in ethanol at 50° C. to yield the title compound as light yellow solid. MS: 518.2 (MH+).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ee97e74fa2494fa09b6556b0ababb064
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

[CH2:1]([O:3][C:4]1[CH:5]=[C:6]([CH:28]=[C:29]([O:32][CH2:33][CH3:34])[C:30]=1F)[CH2:7][N:8]1[CH2:13][CH2:12][CH:11]([NH:14][C:15](=[O:27])[C:16]2[CH:21]=[CH:20][CH:19]=[C:18]([C:22]3[N:23]=[N:24][NH:25][N:26]=3)[CH:17]=2)[CH2:10][CH2:9]1)[CH3:2].C(OC1C=C(C=C(OCC)C=1[N:46]1[CH:50]=[N:49][CH:48]=[N:47]1)C=O)C.C([BH3-])#N.[Na+].C(N(C(C)C)C(C)C)C>C(O)C.C(O)(=O)C>[CH2:1]([O:3][C:4]1[CH:5]=[C:6]([CH:28]=[C:29]([O:32][CH2:33][CH3:34])[C:30]=1[N:46]1[CH:50]=[N:49][CH:48]=[N:47]1)[CH2:7][N:8]1[CH2:13][CH2:12][CH:11]([NH:14][C:15](=[O:27])[C:16]2[CH:21]=[CH:20][CH:19]=[C:18]([C:22]3[N:23]=[N:24][NH:25][N:26]=3)[CH:17]=2)[CH2:10][CH2:9]1)[CH3:2]