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

Ethanol → 4-(2-Benzylsulfanyl-ethyl)-5-(4-bromo-phenyl)-3-methyl-isoxazole

HRID 1226493
노트
인쇄 미리보기

반응식

HRID 1226493 반응식
[Br:11][c:12]1[cH:13][cH:14][c:15](-[c:18]2[c:19]([CH2:24][CH2:25][O:26][S:27]([CH3:28])(=[O:29])=[O:30])[c:20]([CH3:23])[n:21][o:22]2)[cH:16][cH:17]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[SH:8].[CH3:31][CH2:32][OH:33].[CH3:34][CH2:35][O:36][C:37]([CH3:38])=[O:39].[Na+:10].[OH-:9].[OH2:40]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[S:8][CH2:25][CH2:24][c:19]1[c:18](-[c:15]2[cH:14][cH:13][c:12]([Br:11])[cH:17][cH:16]2)[o:22][n:21][c:20]1[CH3:23]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 7509Benzyl mercaptanHCID 8857Ethyl AcetateHCID 86652398Methanesulfonic acid 2-[5-(4-bromo-phenyl)-3-methyl-isoxazol-4-yl]ethyl ester

생성물 1

출처 및 근거

ORD 기록
ord-61ba90c83061420991d47a6a219445e3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

반응 노트

불러오는 중…

이 페이지에서참가 물질출처 및 근거반응 노트
HCID 66577230
4-(2-Benzylsulfanyl-ethyl)-5-(4-bromo-phenyl)-3-methyl-isoxazole