Acetate → 1-{3-fluoro-4-[(phenylmethyl)oxy]phenyl}-3-methyl-4-[(phenylmethyl)oxy]-1H-indazole
Reaction equation
[C:46]([O-:47])(=[O:48])[CH3:49].[C:51]([O-:52])(=[O:53])[CH3:54].[CH2:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[O:26][c:27]1[c:28]([F:36])[cH:29][c:30]([B:33]([OH:34])[OH:35])[cH:31][cH:32]1.[CH3:1][c:2]1[n:3][nH:4][c:5]2[cH:6][cH:7][cH:8][c:9]([O:11][CH2:12][c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[c:10]12.[Cl:43][CH2:44][Cl:45].[Cu+2:50].[cH:37]1[cH:38][cH:39][n:40][cH:41][cH:42]1>>[CH3:1][c:2]1[n:3][n:4](-[c:30]2[cH:29][c:28]([F:36])[c:27]([O:26][CH2:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[cH:32][cH:31]2)[c:5]2[cH:6][cH:7][cH:8][c:9]([O:11][CH2:12][c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[c:10]12Participants
7
Sources & evidence
- ORD record
- ord-135c08c7fb4a4c70a59fbf2284ea3dbe
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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