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

Ethanol → (6-(5-{3-Chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-2-{[(1,1-dimethylethyl)oxy]carbonyl}-5-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)acetic acid

HRID 694891
노트
인쇄 미리보기

반응식

HRID 694891 반응식
[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][C:6]([CH2:7][CH:8]1[N:9]([C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[CH2:10][CH2:11][c:12]2[c:13]([CH3:34])[c:14](-[c:18]3[n:19][o:20][c:21](-[c:23]4[cH:24][c:25]([Cl:33])[c:26]([O:29][CH:30]([CH3:31])[CH3:32])[cH:27][cH:28]4)[n:22]3)[cH:15][cH:16][c:17]21)=[O:42].[CH3:45][CH2:46][OH:47].[Na+:44].[OH-:43]>>[O:5]=[C:6]([CH2:7][CH:8]1[N:9]([C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[CH2:10][CH2:11][c:12]2[c:13]([CH3:34])[c:14](-[c:18]3[n:19][o:20][c:21](-[c:23]4[cH:24][c:25]([Cl:33])[c:26]([O:29][CH:30]([CH3:31])[CH3:32])[cH:27][cH:28]4)[n:22]3)[cH:15][cH:16][c:17]21)[OH:42]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 595910751,1-Dimethylethyl 1-[2-(butyloxy)-2-oxoethyl]-6-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-5-methyl-3,4-dihydro-2(1H)-isoquinolinecarboxylate

생성물 1

HCID 59591087(6-(5-{3-Chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-2-{[(1,1-dimethylethyl)oxy]carbonyl}-5-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)acetic acid

출처 및 근거

ORD 기록
ord-131c745fdef449bfb3e60617eafd18a5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

반응 노트

불러오는 중…

이 페이지에서참가 물질출처 및 근거반응 노트