4-{4-[5-(3-tert-Butyl-phenylcarbamoyl)-pyridin-2-yl]-piperazin-1-yl}-benzoic acid → 4-{4-[4-(3-tert-Butyl-phenylcarbamoyl)-phenyl]-piperazin-1-yl}-benzoic acid
Reaktionsgleichung
[C:37]([c:38]1[cH:39][c:40]([NH:41][C:42]([c:43]2[cH:44][cH:45][c:46]([N:47]3[CH2:48][CH2:49][N:50]([c:51]4[cH:52][cH:53][c:54]([C:55]([OH:56])=[O:57])[cH:58][cH:59]4)[CH2:60][CH2:61]3)[n:62][cH:63]2)=[O:64])[cH:65][cH:66][cH:67]1)([CH3:68])([CH3:69])[CH3:70].[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][cH:7][c:8]([N:11]2[CH2:12][CH2:13][N:14]([c:17]3[cH:18][cH:19][c:20]([C:23]([NH:24][c:25]4[cH:26][c:27]([C:31]([CH3:32])([CH3:33])[CH3:34])[cH:28][cH:29][cH:30]4)=[O:35])[cH:21][cH:22]3)[CH2:15][CH2:16]2)[cH:9][cH:10]1)=[O:36]>>[O:3]=[C:4]([c:5]1[cH:6][cH:7][c:8]([N:11]2[CH2:12][CH2:13][N:14]([c:17]3[cH:18][cH:19][c:20]([C:23]([NH:24][c:25]4[cH:26][c:27]([C:31]([CH3:32])([CH3:33])[CH3:34])[cH:28][cH:29][cH:30]4)=[O:35])[cH:21][cH:22]3)[CH2:15][CH2:16]2)[cH:9][cH:10]1)[OH:36]Komponenten
3
Quellen und Nachweise
- ORD-Eintrag
- ord-0d86624f7ba9435f8797828e3572b2cd
- Quelldatensatz
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)