Acetonitrile → Methyl 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
[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[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.[F:42][C:43]([F:44])([F:45])[S:46]([O-:47])(=[O:48])=[O:49].[F:51][C:52]([F:53])([F:54])[S:55]([O-:56])(=[O:57])=[O:58].[F:59][C:60]([F:61])([F:62])[S:63]([O-:64])(=[O:65])=[O:66].[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][CH3:38])[cH:39][cH:40][cH:41]3)[c:27]2[cH:28][c:29]([CH3:31])[cH:30]1.[Yb+3:50]>>[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][CH3:38])[cH:39][cH:40][cH:41]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
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-91615e8f546848a0b8f88a5b0a474646
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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