홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /반응

Triethylamine → (S,S)-N-[3-(3-Fluoro-4-{4-[2-(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yloxy)-acetyl]-piperazin-1-yl}-phenyl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide

HRID 1446066
노트
인쇄 미리보기

반응식

HRID 1446066 반응식
[F:1][C:2]1[CH:3]=[C:4]([N:30]2[CH2:34][CH:33]([CH2:35][NH:36][C:37](=[O:39])[CH3:38])[O:32][C:31]2=[O:40])[CH:5]=[CH:6][C:7]=1[N:8]1[CH2:13][CH2:12][N:11]([C:14](=[O:29])[CH2:15][O:16][CH:17]2[CH2:22][O:21][C:20]3=[N:23][C:24]([N+:26]([O-:28])=[O:27])=[CH:25][N:19]3[CH2:18]2)[CH2:10][CH2:9]1.[N+](C1N=C2N(C=1)CC(OCC(O)=O)CO2)([O-])=O.FC1C=C(N2CC(CNC(=O)C)OC2=O)C=CC=1N1CCNCC1.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.[B-](F)(F)(F)F.CCN(CC)CC>CN(C=O)C.CCOC(C)=O.O>[F:1][C:2]1[CH:3]=[C:4]([N:30]2[CH2:34][C@H:33]([CH2:35][NH:36][C:37](=[O:39])[CH3:38])[O:32][C:31]2=[O:40])[CH:5]=[CH:6][C:7]=1[N:8]1[CH2:13][CH2:12][N:11]([C:14](=[O:29])[CH2:15][O:16][C@@H:17]2[CH2:22][O:21][C:20]3=[N:23][C:24]([N+:26]([O-:28])=[O:27])=[CH:25][N:19]3[CH2:18]2)[CH2:10][CH2:9]1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

9

반응물 5

HCID 8471TriethylamineHCID 2733207O-(Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborateHCID 18939356N-[[3-(3-Fluoro-4-(piperazin-1-YL)phenyl)-2-oxooxazolidin-5-YL]methyl]acetamideHCID 68548045HCID 68548045, 화합물HCID 68548178HCID 68548178, 화합물

생성물 1

HCID 44242534
(S,S)-N-[3-(3-Fluoro-4-{4-[2-(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yloxy)-acetyl]-piperazin-1-yl}-phenyl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide
수율 10%

시약·촉매·용매 3

HCID 962Water용매HCID 6228Dimethylformamide용매HCID 8857Ethyl Acetate용매

실험 절차

N-[3-(3-Fluoro-4-{4-[2-(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yloxy)-acetyl]-piperazin-1-yl}-phenyl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide. A mixture of (2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yloxy)-acetic acid (53 mg, 0.22 mmol), N-[3-(3-fluoro-4-piperazin-1-yl-phenyl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide (73 mg, 0.228 mmol) (prepared as described by Barbachyn et al, U.S. Pat. No. 5,547,950) and TBTU (114 mg, 0.35 mmol) is dissolved in DMF (5 ml) and treated with Et3N (0.122 ml, 0.88 mmol) and stirred at room temperature for 12 hours. The mixture was diluted with EtOAc and water. The organic layer was washed with water, dried over sodium sulfate and concentrated. The residue was purified by preparative TLC to give 13 mg (10%) of the titled product as a tan solid. ESI MS m/z 562 (M+H+); 1H NMR (400 MHz, CDCl3) δ 7.50 (d, J=11.6 Hz, 1H), 7.44 (s, 1H), 7.21-7.02 (m, 1H), 7.00-6.85 (m, 1H), 5.99-5.92 (m, 1H), 4.76-4.67 (m, 2H), 4.44-4.22 (m, 4H), 4.05-4.01 (m, 1H), 3.79-3.44 (m, 4H), 3.49 (s, 2H), 3.10-2.62 (m, 4H), 2.02 (s, 3H), 1.24 (s, 3H).

후처리

  1. customprepared
  2. washThe organic layer was washed with water
  3. dry with materialdried over sodium sulfate
  4. concentrationconcentrated
  5. customThe residue was purified by preparative TLC

출처 및 근거

ORD 기록
ord-6411674ff451413eb00c5f80d6987ab9
출처 데이터셋
uspto-grants-2010_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07666864B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트