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Ethanol → 4-(6-Amino-5-o-tolyl-pyridine-3-sulfonyl)-5-methylsulfanyl-thiophene-2-carboxylic acid amide

HRID 1121782
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HRID 1121782 반응식
[C:38](=[O:39])([O-:40])[O-:41].[CH3:124][c:125]1[cH:126][cH:127][cH:128][cH:129][cH:130]1.[CH3:44][CH2:45][OH:46].[NH2:1][c:2]1[c:3]([Br:21])[cH:4][c:5]([S:8](=[O:9])(=[O:10])[c:11]2[cH:12][c:13]([C:18](=[O:19])[NH2:20])[s:14][c:15]2[S:16][CH3:17])[cH:6][n:7]1.[Na+:42].[Na+:43].[c:22]1([CH3:37])[c:23](-[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[B:34]([OH:35])[OH:36])[cH:24][cH:25][cH:26][cH:27]1.[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([P:53]([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)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([P:72]([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)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[P:91]([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)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[cH:122][cH:123]1>>[NH2:1][c:2]1[c:3](-[c:23]2[c:22]([CH3:37])[cH:27][cH:26][cH:25][cH:24]2)[cH:4][c:5]([S:8](=[O:9])(=[O:10])[c:11]2[cH:12][c:13]([C:18](=[O:19])[NH2:20])[s:14][c:15]2[S:16][CH3:17])[cH:6][n:7]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 702EthanolHCID 923Sodium Ion2회HCID 1140TolueneHCID 19660Carbonate IonHCID 15887404(2'-Methyl-[1,1'-biphenyl]-2-yl)boronic acidHCID 210571294-(6-Amino-5-bromo-pyridine-3-sulfonyl)-5-methylsulfanyl-thiophene-2-carboxylic acid amide
HCID 178420554
HCID 178420554, 화합물

생성물 1

HCID 210571304-(6-Amino-5-o-tolyl-pyridine-3-sulfonyl)-5-methylsulfanyl-thiophene-2-carboxylic acid amide

출처 및 근거

ORD 기록
ord-2b5be0ed4f9a451783fed059bdbb02aa
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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