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

Dimethyl Sulfoxide → Tert-butyl 2-(4-(4-((2,4-dichlorophenethyl)carbamoyl)-3-fluorophenoxy)-3-cyanophenyl)acetate

HRID 145665
노트
인쇄 미리보기

반응식

HRID 145665 반응식
[C:22](#[N:23])[c:24]1[cH:25][c:26]([CH2:31][C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[cH:27][cH:28][c:29]1[F:30].[CH3:45][S:46]([CH3:47])=[O:48].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[Cl:1][c:2]1[c:3]([CH2:4][CH2:5][NH:6][C:7]([c:8]2[c:9]([F:15])[cH:10][c:11]([OH:14])[cH:12][cH:13]2)=[O:16])[cH:17][cH:18][c:19]([Cl:21])[cH:20]1.[K+:39].[K+:40].[O-:41][C:42]([O-:43])=[O:44].[OH2:49]>>[Cl:1][c:2]1[c:3]([CH2:4][CH2:5][NH:6][C:7]([c:8]2[c:9]([F:15])[cH:10][c:11]([O:14][c:29]3[c:24]([C:22]#[N:23])[cH:25][c:26]([CH2:31][C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[cH:27][cH:28]3)[cH:12][cH:13]2)=[O:16])[cH:17][cH:18][c:19]([Cl:21])[cH:20]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2회HCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 45925946Tert-butyl 2-(3-cyano-4-fluorophenyl)acetateHCID 68467622N-(2,4-dichlorophenethyl)-2-fluoro-4-hydroxybenzamide

생성물 1

HCID 68468374Tert-butyl 2-(4-(4-((2,4-dichlorophenethyl)carbamoyl)-3-fluorophenoxy)-3-cyanophenyl)acetate

출처 및 근거

ORD 기록
ord-fb6cba6f17d941d0a3a5b435c715c7d1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

반응 노트

불러오는 중…

이 페이지에서참가 물질출처 및 근거반응 노트