5-(But-2-ynyloxy)pyrazine-2-carboxylic acid → 5-But-2-ynyloxy-pyrazine-2-carboxylic acid [3-((4S,4aR,7aR)-2-amino-5,5-difluoro-4-methyl-4,4a,5,6,7,7a-hexahydro-cyclopenta[e][1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide

HRID 710195

반응식

HRID 710195 반응식
[NH2:1][C:2]1[CH:3]=[CH:4][C:5]([F:21])=[C:6]([C@:8]2([CH3:20])[C@H:13]3[C:14]([F:18])([F:17])[CH2:15][CH2:16][C@H:12]3[O:11][C:10]([NH2:19])=[N:9]2)[CH:7]=1.[CH2:22]([O:26][C:27]1[N:28]=[CH:29][C:30]([C:33](O)=[O:34])=[N:31][CH:32]=1)[C:23]#[C:24][CH3:25]>>[NH2:19][C:10]1[O:11][C@@H:12]2[CH2:16][CH2:15][C:14]([F:17])([F:18])[C@@H:13]2[C@:8]([C:6]2[CH:7]=[C:2]([NH:1][C:33]([C:30]3[CH:29]=[N:28][C:27]([O:26][CH2:22][C:23]#[C:24][CH3:25])=[CH:32][N:31]=3)=[O:34])[CH:3]=[CH:4][C:5]=2[F:21])([CH3:20])[N:9]=1

참가 물질

3

반응물 2

HCID 584486775-(But-2-ynyloxy)pyrazine-2-carboxylic acidHCID 90021263(4S,4aR,7aR)-4-(5-amino-2-fluoro-phenyl)-5,5-difluoro-4-methyl-4,4a,5,6,7,7a-hexahydro-cyclopenta[e][1,3]oxazin-2-ylamine

생성물 1

HCID 727060095-But-2-ynyloxy-pyrazine-2-carboxylic acid [3-((4S,4aR,7aR)-2-amino-5,5-difluoro-4-methyl-4,4a,5,6,7,7a-hexahydro-cyclopenta[e][1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide

실험 절차

The coupling of (4S,4aR,7aR)-4-(5-amino-2-fluoro-phenyl)-5,5-difluoro-4-methyl-4,4a,5,6,7,7a-hexahydro-cyclopenta[e][1,3]oxazin-2-ylamine (intermediate XIIIa-1) and 5-but-2-ynyloxy-pyrazine-2-carboxylic acid (CAS 1221447-98-814) following procedure Q yielded the title compound as an amorphous colorless material (34% yield). MS: m/z=474.2 [M+H]+.

출처 및 근거

ORD 기록
ord-977f30d217fb42f19353fb3224212237
출처 데이터셋
uspto-grants-2015_11
특허 번호
US09181232B2

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