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

Hydrochloric Acid → 3-[4-(2'-Butoxy-5'-methyl-biphenyl-4-ylmethoxy)-phenyl]-3-(4-fluorophenyl)-propionic acid ethyl ester

HRID 1147626
노트
인쇄 미리보기

반응식

HRID 1147626 반응식
[Br:22][CH2:23][c:24]1[cH:25][cH:26][c:27](-[c:30]2[c:31]([O:37][CH2:38][CH2:39][CH2:40][CH3:41])[cH:32][cH:33][c:34]([CH3:36])[cH:35]2)[cH:28][cH:29]1.[C:42](=[O:43])([O-:44])[O-:45].[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH:6]([c:7]1[cH:8][cH:9][c:10]([OH:13])[cH:11][cH:12]1)[c:14]1[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]1)=[O:21].[ClH:48].[Cs+:46].[Cs+:47].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH2:54]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH:6]([c:7]1[cH:8][cH:9][c:10]([O:13][CH2:23][c:24]2[cH:25][cH:26][c:27](-[c:30]3[c:31]([O:37][CH2:38][CH2:39][CH2:40][CH3:41])[cH:32][cH:33][c:34]([CH3:36])[cH:35]3)[cH:28][cH:29]2)[cH:11][cH:12]1)[c:14]1[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]1)=[O:21]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 578357253-(4-Fluorophenyl)-3-(4-hydroxyphenyl)-propionic acid ethyl esterHCID 598551134'-Bromomethyl-2-butoxy-5-methyl-biphenyl

생성물 1

HCID 591326263-[4-(2'-Butoxy-5'-methyl-biphenyl-4-ylmethoxy)-phenyl]-3-(4-fluorophenyl)-propionic acid ethyl ester

출처 및 근거

ORD 기록
ord-308e5f43afe14a71bafa6fc33dac421d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

반응 노트

불러오는 중…

이 페이지에서참가 물질출처 및 근거반응 노트