(S)-3-(3,4-difluorophenyl)-N-(3,3-dimethyl-1-(methyl-amino)-1-oxobutan-2-yl)-6,7-dihydropyrano[4,3-c]pyrazole-1(4H)-carboxamide → (S)-N-(1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl)-3-(3,4-difluorophenyl)-6,7-dihydropyrano[4,3-c]pyrazole-1(4H)-carboxamide

HRID 18470

반응식

HRID 18470 반응식
[F:1][C:2]1[CH:3]=[C:4]([C:9]2[C:10]3[CH2:29][O:28][CH2:27][CH2:26][C:11]=3[N:12]([C:14]([NH:16][C@@H:17]([C:22]([CH3:25])([CH3:24])[CH3:23])[C:18]([NH:20][CH3:21])=[O:19])=[O:15])[N:13]=2)[CH:5]=[CH:6][C:7]=1[F:8].N[C@@H](C(C)(C)C)[C:32](NCCO)=[O:33]>>[OH:33][CH2:32][CH2:21][NH:20][C:18](=[O:19])[C@@H:17]([NH:16][C:14]([N:12]1[C:11]2[CH2:26][CH2:27][O:28][CH2:29][C:10]=2[C:9]([C:4]2[CH:5]=[CH:6][C:7]([F:8])=[C:2]([F:1])[CH:3]=2)=[N:13]1)=[O:15])[C:22]([CH3:24])([CH3:25])[CH3:23]

참가 물질

3

반응물 2

HCID 46834697(S)-3-(3,4-difluorophenyl)-N-(3,3-dimethyl-1-(methyl-amino)-1-oxobutan-2-yl)-6,7-dihydropyrano[4,3-c]pyrazole-1(4H)-carboxamideHCID 58124726(S)-2-amino-N-(2-hydroxyethyl)-3,3-dimethylbutanamide

생성물 1

HCID 46220523(S)-N-(1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl)-3-(3,4-difluorophenyl)-6,7-dihydropyrano[4,3-c]pyrazole-1(4H)-carboxamide

실험 절차

Compound 36 was prepared according to the procedure described for the synthesis of compound 28 by replacing tert-leucine methylamide with intermediate 23. 1H NMR (CDCl3) δ 7.89 (d, J=9.1 Hz, 1H), 7.46-7.51 (m, 1H), 7.21-7.30 (m, 2H), 4.82 (s, 2H), 4.20 (d, J=9.0 Hz, 1H), 3.94 (t, J=5.5 Hz, 2H), 3.74 (br, 2H), 3.44-3.49 (m, 2H), 3.17 (br, 2H), 1.11 (s, 9H). LCMS (+ESI) m/z=437 [M+H]+.

출처 및 근거

ORD 기록
ord-d64cf68eb3ae47938aab537dcd0ecfc6
출처 데이터셋
uspto-grants-2010_06
특허 번호
US07741350B1

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