Water → N-{[(2-{4-[2-ethyl-5-(1-hydroxy-1-methylethyl)-1H-benzimidazol-1-yl]phenyl}ethyl)amino]carbonyl}-4-methylbenzenesulfonamide
Reaktionsgleichung
[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][c:6]2[c:7]([n:8](-[c:13]3[cH:14][cH:15][c:16]([CH2:19][CH2:20][NH:21][C:22](=[O:23])[NH:24][S:25](=[O:26])(=[O:27])[c:28]4[cH:29][cH:30][c:31]([CH3:34])[cH:32][cH:33]4)[cH:17][cH:18]3)[c:9]([CH2:11][CH3:12])[n:10]2)[cH:35][cH:36]1.[O:38]1[CH2:39][CH2:42][CH2:41][CH2:40]1.[OH2:37]>>[C:1]([CH3:2])([OH:3])([c:4]1[cH:5][c:6]2[c:7]([n:8](-[c:13]3[cH:14][cH:15][c:16]([CH2:19][CH2:20][NH:21][C:22](=[O:23])[NH:24][S:25](=[O:26])(=[O:27])[c:28]4[cH:29][cH:30][c:31]([CH3:34])[cH:32][cH:33]4)[cH:17][cH:18]3)[c:9]([CH2:11][CH3:12])[n:10]2)[cH:35][cH:36]1)[CH3:39]Komponenten
4
Quellen und Nachweise
- ORD-Eintrag
- ord-4a1bd58c237347b78e65ff27b9089d02
- Quelldatensatz
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)