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

Benzylamine → HCID 178522798, 화합물

HRID 523378
노트
인쇄 미리보기

반응식

HRID 523378 반응식
O[C@@H](C1C=CC=CC=1)CNC1C=CNC(=O)C=1C1NC2C(C(O)=O)=CC=CC=2N=1.C(N)C1C=CC=CC=1.CCN(C(C)C)C(C)C.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.F[C:72]1[CH:73]=[C:74]([CH:105]=[CH:106][CH:107]=1)[CH2:75][NH:76][C:77]([C:79]1[C:87]2[NH:86][C:85]([C:88]3[C:89](=[O:104])[NH:90][CH:91]=[CH:92][C:93]=3[NH:94][CH2:95][C@@H:96]([OH:103])[C:97]3[CH:102]=[CH:101][CH:100]=[CH:99][CH:98]=3)=[N:84][C:83]=2[CH:82]=[CH:81][CH:80]=1)=[O:78]>CN(C=O)C>[CH2:75]([NH:76][C:77]([C:79]1[C:87]2[NH:86][C:85]([C:88]3[C:89](=[O:104])[NH:90][CH:91]=[CH:92][C:93]=3[NH:94][CH2:95][C@@H:96]([OH:103])[C:97]3[CH:102]=[CH:101][CH:100]=[CH:99][CH:98]=3)=[N:84][C:83]=2[CH:82]=[CH:81][CH:80]=1)=[O:78])[C:74]1[CH:105]=[CH:106][CH:107]=[CH:72][CH:73]=1
참가 물질실험 절차출처 및 근거반응 노트

참가 물질

7

반응물 5

HCID 7504BenzylamineHCID 81531DiisopropylethylamineHCID 9886157Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 178522847HCID 178522847, 화합물HCID 178524247HCID 178524247, 화합물

생성물 1

HCID 178522798
HCID 178522798, 화합물

시약·촉매·용매 1

HCID 6228Dimethylformamide용매

실험 절차

2-[4-((S)-2-Hydroxy-2-phenyl-ethylamino)-2-oxo-1,2-dihydro-pyridin-3-yl]-3H-benzoimidazole-4-carboxylic acid benzylamide was synthesized from 2-[4-((S)-2-hydroxy-2-phenyl-ethylamino)-2-oxo-1,2-dihydro-pyridin-3-yl]-3H-benzoimidazole-4-carboxylic acid, benzylamine, DIEA, HATU and DMF using a similar procedure as 2-[4-((S)-2-hydroxy-2-phenyl-ethylamino)-2-oxo-1,2-dihydro-pyridin-3-yl]-3H-benzoimidazole-4-carboxylic acid 3-fluoro-benzylamide yielding 2-[4-((S)-2-hydroxy-2-phenyl-ethylamino)-2-oxo-1,2-dihydro-pyridin-3-yl]-3H-benzoimidazole-4-carboxylic acid benzylamide. LC/MS calcd for C28H25N5O3 (m/e) 479.0, obsd 480 (M+H). 1H NMR (tautomers 1:2; DMSO-d6) δ: 13.38-13.52 (m, 1H), 11.14-11.38 (m, 1H), 10.33-11.02 (m, 1H), 9.18-9.43 (m, 1H), 7.69-7.99 (m, 2H), 7.15-7.61 (m, 12H), 6.12-6.30 (m, 1H), 5.74-5.99 (m, 1H), 4.52-4.96 (m, 3H), 3.49-3.30 (m, 2H).

출처 및 근거

ORD 기록
ord-43cd19c5ac654f2f83c3add9eee1f473
출처 데이터셋
uspto-grants-2016_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09334480B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차출처 및 근거반응 노트