Hydrochloric Acid → (+/-)-3-({5-[1-(2,6-Dimethyl-4'-trifluoromethyl-biphenyl-4-ylsulfanyl)-2-methyl-propyl]-thiophene-2-carbonyl}-amino)-propionic acid methyl ester

HRID 123853

Reaktionsgleichung

Reaktionsgleichung von HRID 123853
[CH3:1][c:2]1[c:3](-[c:22]2[cH:23][cH:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]2)[c:4]([CH3:21])[cH:5][c:6]([S:8][CH:9]([CH:10]([CH3:11])[CH3:12])[c:13]2[cH:14][cH:15][c:16]([C:18](=[O:19])[OH:20])[s:17]2)[cH:7]1.[CH3:33][O:34][C:35]([CH2:36][CH2:37][NH2:38])=[O:39].[CH3:61][N:62]([CH3:63])[CH2:64][CH2:65][CH2:66][N:67]=[C:68]=[N:69][CH2:70][CH3:71].[CH:51]([N:52]([CH2:53][CH3:54])[CH:55]([CH3:56])[CH3:57])([CH3:58])[CH3:59].[ClH:32].[ClH:60].[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[OH2:40].[OH2:77].[OH:41][n:42]1[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[CH3:1][c:2]1[c:3](-[c:22]2[cH:23][cH:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]2)[c:4]([CH3:21])[cH:5][c:6]([S:8][CH:9]([CH:10]([CH3:11])[CH3:12])[c:13]2[cH:14][cH:15][c:16]([C:18](=[O:20])[NH:38][CH2:37][CH2:36][C:35]([O:34][CH3:33])=[O:39])[s:17]2)[cH:7]1

Komponenten

9

Edukt 8

HCID 313Hydrochloric Acid2×HCID 962Water2×HCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 192794Methyl beta-alanateHCID 67485560(+/-)-5-[1-(2,6-Dimethyl-4'-trifluoromethyl-biphenyl-4-ylsulfanyl)-2-methyl-propyl]-thiophene-2-carboxylic acid

Produkt 1

HCID 59355979(+/-)-3-({5-[1-(2,6-Dimethyl-4'-trifluoromethyl-biphenyl-4-ylsulfanyl)-2-methyl-propyl]-thiophene-2-carbonyl}-amino)-propionic acid methyl ester

Quellen und Nachweise

ORD-Eintrag
ord-7da31e2f026147f3babfa5bd9beb7b61
Quelldatensatz
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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