Acetate → N-[6-[4-(trifluoromethoxy)phenyl]-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-indazol-3-yl]butanamide

HRID 106456Notes

Reaction equation

HRID 106456 reaction equation
[C:53]([O-:54])(=[O:55])[CH3:56].[C:58]([O-:59])(=[O:60])[CH3:61].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[Cl:17][c:18]1[cH:19][cH:20][c:21]2[c:22]([NH:35][C:36]([CH2:37][CH2:38][CH3:39])=[O:40])[n:23][n:24]([CH2:27][O:28][CH2:29][CH2:30][Si:31]([CH3:32])([CH3:33])[CH3:34])[c:25]2[cH:26]1.[Cs+:16].[F-:15].[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([B:10]([OH:11])[OH:12])[cH:8][cH:9]1)([F:13])[F:14].[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1.[Pd+2:57]>>[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7](-[c:18]2[cH:19][cH:20][c:21]3[c:22]([NH:35][C:36]([CH2:37][CH2:38][CH3:39])=[O:40])[n:23][n:24]([CH2:27][O:28][CH2:29][CH2:30][Si:31]([CH3:32])([CH3:33])[CH3:34])[c:25]3[cH:26]2)[cH:8][cH:9]1)([F:13])[F:14]

Participants

9

Reactant 8

HCID 175Acetate2×HCID 8857Ethyl AcetateHCID 28179Fluoride IonHCID 312751,4-DioxaneHCID 104967Cesium cationHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27343864-(Trifluoromethoxy)phenylboronic acidHCID 10406687N-[6-chloro-1-[[2-(trimethylsilyl)ethoxy)methyl]-1H-indazol-3-yl)butanamide

Product 1

HCID 22319666N-[6-[4-(trifluoromethoxy)phenyl]-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-indazol-3-yl]butanamide

Sources & evidence

ORD record
ord-59a99f698bda493992acee735e0638ff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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