(4-Fluoro-3-methoxyphenyl)boronic acid → 6-[2-(3-Chloro-4'-fluoro-3'-methoxy-biphenyl-4-yl)-1-hydroxy-1-trifluoromethyl-propyl]-8-fluoro-4-methyl-4H-benzo[1,4]oxazin-3-one
Reaktionsgleichung
[Br:1][c:2]1[cH:3][c:4]([Cl:29])[c:5]([CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([OH:14])[c:15]2[cH:16][c:17]([F:27])[c:18]3[c:19]([cH:26]2)[N:20]([CH3:25])[C:21](=[O:24])[CH2:22][O:23]3)[CH3:28])[cH:6][cH:7]1.[F:30][c:31]1[c:32]([O:40][CH3:41])[cH:33][c:34]([B:37]([OH:38])[OH:39])[cH:35][cH:36]1>>[c:2]1(-[c:34]2[cH:33][c:32]([O:40][CH3:41])[c:31]([F:30])[cH:36][cH:35]2)[cH:3][c:4]([Cl:29])[c:5]([CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([OH:14])[c:15]2[cH:16][c:17]([F:27])[c:18]3[c:19]([cH:26]2)[N:20]([CH3:25])[C:21](=[O:24])[CH2:22][O:23]3)[CH3:28])[cH:6][cH:7]1Komponenten
3
Edukt 2
Produkt 1
Quellen und Nachweise
- ORD-Eintrag
- ord-aa27e14770584c65a01b8e9f05aa9adc
- Quelldatensatz
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)