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

Sodium Ion → tert-butyl 2-[(trans-4-{6-[(2'-cyano-3-fluorobiphenyl-4-yl)methyl]-5-oxo-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl}cyclohexyl)oxy]propanoate

HRID 2326534
노트
인쇄 미리보기

반응식

HRID 2326534 반응식
[Br:37][CH:38]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH3:46].[CH2:61]([N+:62]([CH2:63][CH2:64][CH2:65][CH3:66])([CH2:67][CH2:68][CH2:69][CH3:70])[CH2:71][CH2:72][CH2:73][CH3:74])[CH2:75][CH2:76][CH3:77].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[F:1][c:2]1[cH:3][c:4](-[c:29]2[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]2)[cH:5][cH:6][c:7]1[CH2:8][c:9]1[c:10](=[O:28])[n:11]([CH:21]2[CH2:22][CH2:23][CH:24]([OH:27])[CH2:25][CH2:26]2)[c:12]2[n:13]([c:14]1[CH2:15][CH2:16][CH3:17])[n:18][cH:19][n:20]2.[Na+:55].[OH-:54].[OH2:78].[S:56]([O-:57])([OH:58])(=[O:59])=[O:60]>>[F:1][c:2]1[cH:3][c:4](-[c:29]2[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]2)[cH:5][cH:6][c:7]1[CH2:8][c:9]1[c:10](=[O:28])[n:11]([CH:21]2[CH2:22][CH2:23][CH:24]([O:27][CH:38]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH3:46])[CH2:25][CH2:26]2)[c:12]2[n:13]([c:14]1[CH2:15][CH2:16][CH3:17])[n:18][cH:19][n:20]2
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 1140TolueneHCID 16028TetrabutylammoniumHCID 61778Sulfate, hydrogenHCID 545327tert-Butyl 2-bromopropanoate
HCID 67009860
3'-Fluoro-4'-{[4-(trans-4-hydroxycyclohexyl)-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile

생성물 1

HCID 67008770tert-butyl 2-[(trans-4-{6-[(2'-cyano-3-fluorobiphenyl-4-yl)methyl]-5-oxo-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl}cyclohexyl)oxy]propanoate

출처 및 근거

ORD 기록
ord-1437d33e66cf474983782d3181623611
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

반응 노트

불러오는 중…

이 페이지에서참가 물질출처 및 근거반응 노트