2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid → HCID 21092770, 화합물
반응식
[CH2:1]([O:3][C:4](=[O:28])[CH2:5][NH:6][CH2:7][CH2:8][NH:9][S:10]([C:13]1[S:14][C:15]([C:18]2[CH:23]=[CH:22][C:21]([N+:24]([O-:26])=[O:25])=[CH:20][C:19]=2[Cl:27])=[N:16][N:17]=1)(=[O:12])=[O:11])[CH3:2].[N:29]1([CH2:38][C:39](O)=[O:40])[CH:37]=[C:35]([CH3:36])[C:33](=[O:34])[NH:32][C:30]1=[O:31]>>[CH2:1]([O:3][C:4](=[O:28])[CH2:5][N:6]([CH2:7][CH2:8][NH:9][S:10]([C:13]1[S:14][C:15]([C:18]2[CH:23]=[CH:22][C:21]([N+:24]([O-:26])=[O:25])=[CH:20][C:19]=2[Cl:27])=[N:16][N:17]=1)(=[O:11])=[O:12])[C:39](=[O:40])[CH2:38][N:29]1[CH:37]=[C:35]([CH3:36])[C:33](=[O:34])[NH:32][C:30]1=[O:31])[CH3:2]참가 물질
3
실험 절차
The title compound was synthesized by the reaction of N-{2-[5-(2-chloro-4-nitrophenyl)-1,3,4-thiadiazole-2-sulfonylamino]-ethyl}-glycine ethyl ester with (thymin-1-yl)-acetic acid as per the procedure of example 13. 1H NMR (500 MHz; DMSO-d6) δ 11.28 (s, 0.6H), 11.25 (s, 0.4H), 9.16 (brs, 1H), 8.62–8.57 (m, 1H), 8.54–8.48 (m, 1H), 8.42–8.36 (m, 1H), 7.33 (s, 0.6H), 7.24 (s, 0.4H), 4.66 (s, 1.2H), 4.47 (s, 0.8H), 4.33 (s, 0.8H), 4.18 (q, 0.8H), 4.08 (q, 1.2H), 4.06 (s, 1.2H), 3.57 (t, 1.2H), 3.45–3.40 (m, 2H), 3.28 (t, 0.8H), 1.75 (s, 1.8H), 1.74 (s, 1.2H), 1.24 (t, 1.2H), 1.18 (t, 1.8H).
출처 및 근거
- ORD 기록
- ord-afe06598844a4cf68561698b6d5ae973
- 출처 데이터셋