HRID349029

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21085432

未命名化合物

结构：CCCN(CCC)c1nc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(CC)c2)n1

HCID58802606

未命名化合物

PRODUCTS

生成物

结构：CCCCN(C)c1cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(CC)c2)cc(C#N)n1

HCID58802693

未命名化合物

PROCEDURE

实验过程

In the same manner as for N-{(1S,2R)-1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxypropyl}-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide {EXAMPLE S-2435}, Step 3, 2-[butyl(methyl)amino]-6-cyanoisonicotinic acid (0.135 g) was converted to the title compound (0.223 g).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a8a8f37b2c6403b98985067415d7a25
来源数据集: uspto-grants-2007_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07176242B2
来源说明: uspto-grants-2007_02

反应 SMILES

[F:1][C:2]1[CH:3]=[C:4]([CH:37]=[C:38]([F:40])[CH:39]=1)[CH2:5][C@H:6]([NH:20]C(C1C=C(C)N=C(N(CCC)CCC)N=1)=O)[C@H:7]([OH:19])[CH2:8][NH:9][CH2:10][C:11]1[CH:16]=[CH:15][CH:14]=[C:13]([CH2:17][CH3:18])[CH:12]=1.[CH2:41]([N:45]([CH3:57])[C:46]1[CH:47]=[C:48]([CH:52]=[C:53]([C:55]#[N:56])[N:54]=1)[C:49]([OH:51])=O)[CH2:42][CH2:43][CH3:44]>>[CH2:41]([N:45]([CH3:57])[C:46]1[CH:47]=[C:48]([CH:52]=[C:53]([C:55]#[N:56])[N:54]=1)[C:49]([NH:20][C@@H:6]([CH2:5][C:4]1[CH:37]=[C:38]([F:40])[CH:39]=[C:2]([F:1])[CH:3]=1)[C@H:7]([OH:19])[CH2:8][NH:9][CH2:10][C:11]1[CH:16]=[CH:15][CH:14]=[C:13]([CH2:17][CH3:18])[CH:12]=1)=[O:51])[CH2:42][CH2:43][CH3:44]