1,2-Diaminocyclohexane → N-(2-aminocyclohexyl)-2-methylsulfanyl-4-(trifluoromethyl)benzamide

HRID 186289

Reaktionsgleichung

[CH3:1][S:2][c:3]1[c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[cH:11]1.[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[CH:16]([N:17]([CH2:18][CH3:19])[CH:20]([CH3:21])[CH3:22])([CH3:23])[CH3:24].[NH2:49][CH:50]1[CH:51]([NH2:56])[CH2:52][CH2:53][CH2:54][CH2:55]1.[P-:25]([F:26])([F:27])([F:28])([F:29])([F:30])[F:31].[n:32]1([O:33][C:34]([N:35]([CH3:36])[CH3:37])=[N+:38]([CH3:39])[CH3:40])[c:41]2[n:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[CH3:1][S:2][c:3]1[c:4]([C:5](=[O:7])[NH:56][CH:51]2[CH:50]([NH2:49])[CH2:55][CH2:54][CH2:53][CH2:52]2)[cH:8][cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[cH:11]1

Komponenten

Edukt 6

HCID 46101,2-Diaminocyclohexane

HCID 6228Dimethylformamide

HCID 9886Hexafluorophosphate

HCID 81531Diisopropylethylamine

HCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium

HCID 11085762Benzoic acid, 2-(methylthio)-4-(trifluoromethyl)-

Produkt 1

HCID 66681581N-(2-aminocyclohexyl)-2-methylsulfanyl-4-(trifluoromethyl)benzamide

Quellen und Nachweise

ORD-Eintrag: ord-c476298f241b44e092b026a47756c064
Quelldatensatz: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Verknüpfte Notizen

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