Acetate → Ethyl 3-[6-(2-fluorophenyl)pyridin-3-yl]propanoate

HRID 145497Notes

Reaction equation

HRID 145497 reaction equation
[C:50]([O-:51])(=[O:52])[CH3:53].[C:55]([O-:56])(=[O:57])[CH3:58].[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH2:6][c:7]1[cH:8][n:9][c:10]([Br:13])[cH:11][cH:12]1)=[O:14].[CH3:60][CH2:61][OH:62].[CH3:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[F:15][c:16]1[c:17]([B:22]([OH:23])[OH:24])[cH:18][cH:19][cH:20][cH:21]1.[Na+:44].[Na+:45].[O-:46][C:47](=[O:48])[O-:49].[OH2:59].[Pd+2:54].[c:25]1([P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH2:6][c:7]1[cH:8][n:9][c:10](-[c:17]2[c:16]([F:15])[cH:21][cH:20][cH:19][cH:18]2)[cH:11][cH:12]1)=[O:14]

Participants

11

Reactant 10

HCID 175Acetate2×HCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 1140TolueneHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27343542-Fluorophenylboronic acidHCID 86251977Ethyl 3-(6-bromopyridin-3-yl)propanoate

Product 1

HCID 68537058Ethyl 3-[6-(2-fluorophenyl)pyridin-3-yl]propanoate

Sources & evidence

ORD record
ord-a4cc06df23da46b1a2e11774d87ad6b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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