HCID 54748151, compound → HCID 54748150, compound

HRID 1893191Notes

Reaction equation

HRID 1893191 reaction equation
[F:1][C:2]1[CH:35]=[CH:34][C:5]([CH2:6][NH:7][C:8]([C:10]2[N:11]=[C:12]3[C@@H:18]([N:19]([CH3:27])[C:20](=[O:26])[C:21]([N:23]([CH3:25])[CH3:24])=[O:22])[CH2:17][CH2:16][C:15]([CH3:29])([CH3:28])[CH2:14][N:13]3[C:30](=[O:33])[C:31]=2[OH:32])=[O:9])=[CH:4][C:3]=1[CH3:36]>CO>[F:1][C:2]1[CH:35]=[CH:34][C:5]([CH2:6][NH:7][C:8]([C:10]2[N:11]=[C:12]3[C@H:18]([N:19]([CH3:27])[C:20](=[O:26])[C:21]([N:23]([CH3:24])[CH3:25])=[O:22])[CH2:17][CH2:16][C:15]([CH3:29])([CH3:28])[CH2:14][N:13]3[C:30](=[O:33])[C:31]=2[OH:32])=[O:9])=[CH:4][C:3]=1[CH3:36]

Participants

3

Reactant 1

HCID 54748151HCID 54748151, compound

Product 1

HCID 54748150HCID 54748150, compound

Reagents, catalysts & solvents 1

HCID 887MethanolSolvent

Procedure

N-((10S)-2-{[(4-fluoro-3-methylbenzyl)amino]carbonyl}-3-hydroxy-7,7-dimethyl-4-oxo-4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepin-10-yl)-N,N′,N′-trimethylethanediamide. [α]D23° C.=−72.4° (c=0.5, MeOH); HRMS (ES+): 502.2481 (M+H); 1H NMR (400 MHz, CDCl3) δ 9.35 (br s, 3H), 7.2 (m, 2H), 6.9 (t, J=9 Hz, 1H), 5.34 (br s, 1H), 4.8 (d, J=14 Hz, 1H), 4.5 (m, 2H), 4.5 (m, 2H), 3.3 (d, J=14 Hz, 1H), 3.0 (s, 3H), 2.98, (s, 3H), 2.96 (s, 3H), 2.2 (s, 3H), 2.0 (m, 2H), 1.9 (m, 1H), 1.7 (s, 2H), 1.12 (s, 3H), 0.83 (s, 3H).

Sources & evidence

ORD record
ord-d6e942ee062b46c3a498de110c6581c6
Source dataset
uspto-grants-2013_08
Patent number
US08513234B2

Reaction notes

Loading…