Acetonitrile → phenylmethyl 3-(4-{[4-[5-fluoro-2-(methyloxy)phenyl]-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)benzoate
Reaction equation
[CH3:73][C:74]#[N:75].[F:1][c:2]1[cH:3][cH:4][c:5]([O:19][CH3:20])[c:6]([C:8]([CH2:9][C:10]2([C:13]([F:14])([F:15])[F:16])[O:11][CH2:12]2)([CH3:17])[CH3:18])[cH:7]1.[NH2:21][c:22]1[c:23]2[cH:24][n:25][n:26](-[c:32]3[cH:33][c:34]([C:35](=[O:36])[O:37][CH2:38][c:39]4[cH:40][cH:41][cH:42][cH:43][cH:44]4)[cH:45][cH:46][cH:47]3)[c:27]2[cH:28][c:29]([CH3:31])[cH:30]1.[S:48]([O-:49])([C:50]([F:51])([F:52])[F:53])(=[O:54])=[O:55].[S:57]([O-:58])([C:59]([F:60])([F:61])[F:62])(=[O:63])=[O:64].[S:65]([O-:66])([C:67]([F:68])([F:69])[F:70])(=[O:71])=[O:72].[Yb+3:56]>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:19][CH3:20])[c:6]([C:8]([CH2:9][C:10]([OH:11])([CH2:12][NH:21][c:22]2[c:23]3[cH:24][n:25][n:26](-[c:32]4[cH:33][c:34]([C:35](=[O:36])[O:37][CH2:38][c:39]5[cH:40][cH:41][cH:42][cH:43][cH:44]5)[cH:45][cH:46][cH:47]4)[c:27]3[cH:28][c:29]([CH3:31])[cH:30]2)[C:13]([F:14])([F:15])[F:16])([CH3:17])[CH3:18])[cH:7]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-99e34baa91f147d3925ccbdde540e40d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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