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

Toluene → 4,4-Dimethyl-1-(5-trimethylsilanylethynyl-pyrimidin-2-yl)-pyrrolidin-2-one

HRID 1207504
노트
인쇄 미리보기

반응식

HRID 1207504 반응식
[Br:1][c:2]1[n:3][cH:4][c:5]([C:8]#[C:9][Si:10]([CH3:11])([CH3:12])[CH3:13])[cH:6][n:7]1.[C:22](=[O:23])([O-:24])[O-:25].[CH3:14][C:15]1([CH3:21])[CH2:16][C:17](=[O:20])[NH:18][CH2:19]1.[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[Cs+:26].[Cs+:27].[O:37]=[C:38]([CH:39]=[CH:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)[CH:47]=[CH:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[O:55]=[C:56]([CH:57]=[CH:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1)[CH:65]=[CH:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[O:73]=[C:74]([CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1)[CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[Pd:35].[Pd:36]>>[c:2]1([N:18]2[C:17](=[O:20])[CH2:16][C:15]([CH3:14])([CH3:21])[CH2:19]2)[n:3][cH:4][c:5]([C:8]#[C:9][Si:10]([CH3:11])([CH3:12])[CH3:13])[cH:6][n:7]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 1140TolueneHCID 19660Carbonate IonHCID 23938Palladium2회HCID 95417Dibenzylidene acetone3회HCID 104967Cesium cation2회HCID 6375934,4-Dimethyl-2-pyrrolidinoneHCID 575167612-Bromo-5-((trimethylsilyl)ethynyl)pyrimidine

생성물 1

HCID 584641394,4-Dimethyl-1-(5-trimethylsilanylethynyl-pyrimidin-2-yl)-pyrrolidin-2-one

출처 및 근거

ORD 기록
ord-5827ac649341465dbcc2047b165e6f43
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