Water → 4-[5-(Nonafluorobutane-1-sulfonyloxy)-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine-1-carboxylic acid t-butyl ester
Reaktionsgleichung
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([CH:21]3[CH2:22][C:23]([CH3:29])([CH3:30])[CH2:24][C:25]([CH3:27])([CH3:28])[CH2:26]3)[cH:16][cH:17][c:18]([OH:20])[cH:19]2)[CH2:12][CH2:13]1.[CH3:57][N:58]([CH3:59])[c:60]1[cH:61][cH:62][n:63][cH:64][cH:65]1.[CH:31]([N:32]([CH:33]([CH3:34])[CH3:35])[CH2:36][CH3:37])([CH3:38])[CH3:39].[Cl:66][CH2:67][Cl:68].[F:40][C:41]([C:42]([C:43]([C:44]([F:45])([F:46])[F:47])([F:48])[F:49])([F:50])[F:51])([S:52](=[O:53])(=[O:54])[F:55])[F:56].[OH2:69]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([CH:21]3[CH2:22][C:23]([CH3:29])([CH3:30])[CH2:24][C:25]([CH3:27])([CH3:28])[CH2:26]3)[cH:16][cH:17][c:18]([O:20][S:52]([C:41]([F:40])([C:42]([C:43]([C:44]([F:45])([F:46])[F:47])([F:48])[F:49])([F:50])[F:51])[F:56])(=[O:53])=[O:54])[cH:19]2)[CH2:12][CH2:13]1Komponenten
7
Edukt 6
Produkt 1
Quellen und Nachweise
- ORD-Eintrag
- ord-ff7d1ef671d64ba39dadfb278cf0f7bc
- Quelldatensatz
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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