HRID502456

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID5003444

Sodium cyanotrihydroborate

CH3BNNa

HCID59383100

未命名化合物

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

HCID68456983

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(CN2CCC(NC(=O)c3cc(OC)cc(OCC#N)c3)CC2)cc(OCC)c1-c1ccc(F)cc1

HCID68457069

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-cyanomethoxy-5-methoxy-N-piperidin-4-yl-benzamide (example 245) was reacted with 2,6-diethoxy-4′-fluoro-biphenyl-4-carbaldehyde (example 102), sodium cyanoborohydride, N-ethyl-diisopropylamine and acetic acid in ethanol at 50° C. to yield the title compound as off-white solid. MS: 562.3 (MH+).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7554b97ba29d41fc874faf1633fdee72
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:1]([CH2:3][O:4][C:5]1[CH:6]=[C:7]([CH:31]=[C:32]([O:34][CH3:35])[CH:33]=1)[C:8]([NH:10][CH:11]1[CH2:16][CH2:15][N:14]([CH2:17][C:18]2[CH:23]=[C:22]([O:24][CH2:25][CH3:26])[C:21](F)=[C:20]([O:28][CH2:29][CH3:30])[CH:19]=2)[CH2:13][CH2:12]1)=[O:9])#[N:2].C(OC1C=C(C=O)C=C(OCC)C=1[C:50]1[CH:55]=[CH:54][C:53]([F:56])=[CH:52][CH:51]=1)C.C([BH3-])#N.[Na+].C(N(C(C)C)C(C)C)C>C(O)C.C(O)(=O)C>[C:1]([CH2:3][O:4][C:5]1[CH:6]=[C:7]([CH:31]=[C:32]([O:34][CH3:35])[CH:33]=1)[C:8]([NH:10][CH:11]1[CH2:12][CH2:13][N:14]([CH2:17][C:18]2[CH:19]=[C:20]([O:28][CH2:29][CH3:30])[C:21]([C:50]3[CH:55]=[CH:54][C:53]([F:56])=[CH:52][CH:51]=3)=[C:22]([O:24][CH2:25][CH3:26])[CH:23]=2)[CH2:15][CH2:16]1)=[O:9])#[N:2]