5-Formyl-3,4-dimethyl-thiophene-2-carboxylic acid → N-((S)-3-{2-Ethyl-4-[5-(5-formyl-3,4-dimethyl-thiophen-2-yl)-[1,2,4]oxadiazol-3-yl]-6-methyl-phenoxy}-2-hydroxy-propyl)-2-hydroxy-acetamide

HRID 1685742

반응식

HRID 1685742 반응식
[CH:1]([C:3]1[S:7][C:6]([C:8]([OH:10])=O)=[C:5]([CH3:11])[C:4]=1[CH3:12])=[O:2].[CH2:13]([C:15]1[CH:30]=[C:29]([C:31](=[NH:34])[NH:32]O)[CH:28]=[C:27]([CH3:35])[C:16]=1[O:17][CH2:18][C@@H:19]([OH:26])[CH2:20][NH:21][C:22](=[O:25])[CH2:23][OH:24])[CH3:14]>>[CH2:13]([C:15]1[CH:30]=[C:29]([C:31]2[N:34]=[C:8]([C:6]3[S:7][C:3]([CH:1]=[O:2])=[C:4]([CH3:12])[C:5]=3[CH3:11])[O:10][N:32]=2)[CH:28]=[C:27]([CH3:35])[C:16]=1[O:17][CH2:18][C@@H:19]([OH:26])[CH2:20][NH:21][C:22](=[O:25])[CH2:23][OH:24])[CH3:14]

참가 물질

3

반응물 2

HCID 866464325-Formyl-3,4-dimethyl-thiophene-2-carboxylic acidHCID 178436630HCID 178436630, 화합물

생성물 1

HCID 86646446N-((S)-3-{2-Ethyl-4-[5-(5-formyl-3,4-dimethyl-thiophen-2-yl)-[1,2,4]oxadiazol-3-yl]-6-methyl-phenoxy}-2-hydroxy-propyl)-2-hydroxy-acetamide

실험 절차

The title compound is prepared according to Method A starting from 5-formyl-3,4-dimethyl-thiophene-2-carboxylic acid and N—((S)-3-[2-ethyl-4-(N-hydroxycarbamimidoyl)-6-methyl-phenoxy]-2-hydroxy-propyl)-2-hydroxy-acetamide; LC-MS: tR=0.95 min; [M+H]+=474.07; 1H NMR (D6-DMSO): δ 1.22 (t, J=7.5 Hz, 3H), 2.35 (s, 3H), 2.57 (s, 3H), 2.63 (s, 3H), 2.73 (q, J=7.8 Hz, 2H), 3.20-3.28 (m, 1H), 3.39-3.48 (m, 1H), 3.70-3.81 (m, 2H), 3.84 (d, J=5.5 Hz, 2H), 3.92-4.01 (m, 1H), 5.31 (d, J=4.8 Hz, 1H), 5.55 (t, J=5.5 Hz, 1H), 7.70 (t, J=5.3 Hz, 1H), 7.77 (s, 2H), 10.22 (s, 1H).

출처 및 근거

ORD 기록
ord-5213d19c358e4ba0aec31e37a0c6dcb7
출처 데이터셋
uspto-grants-2012_04
특허 번호
US08148410B2

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