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

Chloride → 9a-butyl-7-hydroxy-4-{4-[2-(1-piperidinyl)ethoxy]phenyl}-1,2,9,9a-tetrahydro-3H-fluoren-3-one

HRID 701913
노트
인쇄 미리보기

반응식

HRID 701913 반응식
[Al+3:40].[CH2:1]([CH2:2][CH2:3][CH3:4])[C:5]12[CH2:6][c:7]3[cH:8][c:9]([O:34][CH3:35])[cH:10][cH:11][c:12]3[C:13]1=[C:14]([c:19]1[cH:20][cH:21][c:22]([O:25][CH2:26][CH2:27][N:28]3[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]3)[cH:23][cH:24]1)[C:15](=[O:18])[CH2:16][CH2:17]2.[CH2:36]([SH:37])[CH3:38].[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[Cl-:39].[Cl-:41].[Cl-:42].[Cl:49][CH2:50][Cl:51].[ClH:43].[Na+:48].[O-:44][C:45]([OH:46])=[O:47].[O:59]1[CH2:60][CH2:61][CH2:62][CH2:63]1.[OH2:58]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[C:5]12[CH2:6][c:7]3[cH:8][c:9]([OH:34])[cH:10][cH:11][c:12]3[C:13]1=[C:14]([c:19]1[cH:20][cH:21][c:22]([O:25][CH2:26][CH2:27][N:28]3[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]3)[cH:23][cH:24]1)[C:15](=[O:18])[CH2:16][CH2:17]2
참가 물질출처 및 근거반응 노트

참가 물질

12

반응물 11

HCID 312Chloride3회HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium IonHCID 962WaterHCID 6343EthanethiolHCID 6344DichloromethaneHCID 8028Tetrahydrofuran
HCID 8857
Ethyl Acetate
HCID 104727Aluminum Cation
HCID 219909249a-butyl-7-methoxy-4-{4-[2-(1-piperidinyl)ethoxy]phenyl}-1,2,9,9a-tetrahydro-3H-fluoren-3-one

생성물 1

HCID 115116099a-butyl-7-hydroxy-4-{4-[2-(1-piperidinyl)ethoxy]phenyl}-1,2,9,9a-tetrahydro-3H-fluoren-3-one

출처 및 근거

ORD 기록
ord-72f58b96734048d9abd3083e0f4baa57
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