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Ethanol → 2-Fluoro-4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]benzenesulfonamide

HRID 184340
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HRID 184340 반응식
[Br:23][c:24]1[cH:25][c:26]([F:34])[c:27]([S:30](=[O:31])(=[O:32])[NH2:33])[cH:28][cH:29]1.[CH3:118][CH2:119][OH:120].[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40].[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.[n:1]1[cH:2][c:3]([CH2:7][CH2:8][CH:9]([CH:10]([CH3:11])[O:12][c:13]2[cH:14][cH:15][c:16]([B:19]([OH:20])[OH:21])[cH:17][cH:18]2)[OH:22])[cH:4][cH:5][cH:6]1>>[n:1]1[cH:2][c:3]([CH2:7][CH2:8][CH:9]([CH:10]([CH3:11])[O:12][c:13]2[cH:14][cH:15][c:16](-[c:24]3[cH:25][c:26]([F:34])[c:27]([S:30](=[O:31])(=[O:32])[NH2:33])[cH:28][cH:29]3)[cH:17][cH:18]2)[OH:22])[cH:4][cH:5][cH:6]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 702EthanolHCID 923Sodium Ion2회HCID 19660Carbonate IonHCID 27789034-Bromo-2-fluorobenzenesulphonamideHCID 18367522[4-(3-Hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]boronic acidHCID 178420554HCID 178420554, 화합물

생성물 1

HCID 20692759
2-Fluoro-4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]benzenesulfonamide

출처 및 근거

ORD 기록
ord-d0013384fe8d4ab19e1400d7bee0142c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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