HRID2090104

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2778315

2-Amino-4-(trifluoromethyl)pyridine

C6H5F3N2

反应SMILES：CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NC[C@H]4CC[C@H](CC(=O)O)CC4)cc3)oc12

HCID178439230

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NC[C@H]4CC[C@H](CC(=O)Nc5cc(C(F)(F)F)ccn5)CC4)cc3)oc12

HCID178439229

未命名化合物

PROCEDURE

实验过程

The title compound was prepared from [trans-4-({[4-(5-cyano-7-isopropyl-1,3-benzoxazol-2-yl)benzoyl]amino}methyl)cyclohexyl]acetic acid and 2-amino-4-(trifluoromethyl)pyridine as described in EXAMPLE 1. Mass spectrum (ESI) 604.1 (M+1). 1H NMR (500 MHz, CD3OD): δ 8.50 (d, J=5.0 Hz, 1H), 8.44 (s, 1H), 8.35 (d, J=8.0 Hz, 2H); 8.02 (d, J=8.5 Hz, 2H), 8.02 (d, J=1.5 Hz, 1H); 7.65 (s, 1H), 7.33 (d, J=5.0 Hz, 1H), 3.50 (septet, J=7.0 Hz, 1H), 3.26 (d, J=7.0 Hz, 2H), 2.35 (d, J=6.5 Hz, 2H), 185-1.70 (m, 5H), 1.65 (m, 1H), 1.47 (d, J=7.0 Hz, 6H), 1.08-1.18 (m, 4H).

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3dc4e769908c41a5bdb48ba29b9bb387
来源数据集: uspto-grants-2013_05
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US08436028B2
来源说明: uspto-grants-2013_05

反应SMILES

[C:1]([C:3]1[CH:4]=[C:5]([CH:32]([CH3:34])[CH3:33])[C:6]2[O:10][C:9]([C:11]3[CH:30]=[CH:29][C:14]([C:15]([NH:17][CH2:18][C@H:19]4[CH2:24][CH2:23][C@H:22]([CH2:25][C:26](O)=[O:27])[CH2:21][CH2:20]4)=[O:16])=[CH:13][CH:12]=3)=[N:8][C:7]=2[CH:31]=1)#[N:2].[NH2:35][C:36]1[CH:41]=[C:40]([C:42]([F:45])([F:44])[F:43])[CH:39]=[CH:38][N:37]=1>>[C:1]([C:3]1[CH:4]=[C:5]([CH:32]([CH3:34])[CH3:33])[C:6]2[O:10][C:9]([C:11]3[CH:30]=[CH:29][C:14]([C:15]([NH:17][CH2:18][C@H:19]4[CH2:24][CH2:23][C@H:22]([CH2:25][C:26](=[O:27])[NH:35][C:36]5[CH:41]=[C:40]([C:42]([F:44])([F:43])[F:45])[CH:39]=[CH:38][N:37]=5)[CH2:21][CH2:20]4)=[O:16])=[CH:13][CH:12]=3)=[N:8][C:7]=2[CH:31]=1)#[N:2]