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1,2-Dimethoxyethane → 2-(2,2,2-Trifluoroethyl)-4-(2-propoxy)-5-[4-(methylthio)phenyl]-3(2H)-pyridazinone

HRID 1543963
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HRID 1543963 반응식
[C:29](=[O:30])([O-:31])[O-:32].[CH3:18][S:19][c:20]1[cH:21][cH:22][c:23]([B:26]([OH:27])[OH:28])[cH:24][cH:25]1.[CH3:35][O:36][CH2:37][CH2:38][O:39][CH3:40].[Cs+:33].[Cs+:34].[F:1][C:2]([CH2:3][n:4]1[n:5][cH:6][c:7]([Br:15])[c:8]([O:11][CH:12]([CH3:13])[CH3:14])[c:9]1=[O:10])([F:16])[F:17].[cH:41]1[cH:42][cH:43][c:44]([P:45]([Pd:46]([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[cH:116][cH:117]1>>[F:1][C:2]([CH2:3][n:4]1[n:5][cH:6][c:7](-[c:23]2[cH:22][cH:21][c:20]([S:19][CH3:18])[cH:25][cH:24]2)[c:8]([O:11][CH:12]([CH3:13])[CH3:14])[c:9]1=[O:10])([F:16])[F:17]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 27339594-(Methylthio)phenylboronic acidHCID 219339302-(2,2,2-trifluoroethyl)-4-(2-propoxy)-5-bromo-3(2H)-pyridazinoneHCID 178420554HCID 178420554, 화합물

생성물 1

HCID 53923939
2-(2,2,2-Trifluoroethyl)-4-(2-propoxy)-5-[4-(methylthio)phenyl]-3(2H)-pyridazinone

출처 및 근거

ORD 기록
ord-8fcb06663554474da7908f63a611ba29
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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