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

Dimethyl Sulfoxide → 4-(2-methyl-7-nitro-1-oxo-2,3-dihydro-1H-isoindol-4-yl)-piperazine-1-carboxylic acid tert-butyl ester

HRID 2141670
노트
인쇄 미리보기

반응식

HRID 2141670 반응식
[C:16](=[O:17])([O-:18])[O-:19].[C:29]([CH3:30])([CH3:31])([CH3:32])[O:33][C:34](=[O:35])[N:36]1[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]1.[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:42][S:43]([CH3:44])=[O:45].[F:1][c:2]1[c:3]2[c:7]([c:8]([N+:11](=[O:12])[O-:13])[cH:9][cH:10]1)[C:6](=[O:14])[N:5]([CH3:15])[CH2:4]2.[K+:20].[K+:21].[OH2:46]>>[c:2]1([N:39]2[CH2:38][CH2:37][N:36]([C:34]([O:33][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:35])[CH2:41][CH2:40]2)[c:3]2[c:7]([c:8]([N+:11](=[O:12])[O-:13])[cH:9][cH:10]1)[C:6](=[O:14])[N:5]([CH3:15])[CH2:4]2
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2회HCID 962WaterHCID 8471TriethylamineHCID 19660Carbonate IonHCID 143452tert-Butyl piperazine-1-carboxylateHCID 598492024-Fluoro-2-methyl-7-nitroisoindolin-1-one

생성물 1

HCID 598491954-(2-methyl-7-nitro-1-oxo-2,3-dihydro-1H-isoindol-4-yl)-piperazine-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-cc3fb196736440488bc949532a5407b6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

반응 노트

불러오는 중…

이 페이지에서참가 물질출처 및 근거반응 노트