Acetate → Methyl (2'-fluoro-4'-hydroxy-1,1'-biphenyl-4-yl)acetate

HRID 1240657Notes

Reaction equation

HRID 1240657 reaction equation
[Br:49][c:50]1[c:51]([F:57])[cH:52][c:53]([OH:56])[cH:54][cH:55]1.[C:64]([O-:65])(=[O:66])[CH3:67].[C:69]([O-:70])(=[O:71])[CH3:72].[CH3:29][C:30]1([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35][B:36]([c:37]2[cH:38][cH:39][c:40]([CH2:43][C:44](=[O:45])[O:46][CH3:47])[cH:41][cH:42]2)[O:48]1.[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[ClH:58].[Na+:23].[Na+:24].[O-:25][C:26](=[O:27])[O-:28].[Pd+2:68].[c:1]1([CH3:2])[cH:3][cH:4][cH:5][cH:6][c:7]1[P:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][c:14]1[CH3:15])[c:16]1[cH:17][cH:18][cH:19][cH:20][c:21]1[CH3:22]>>[c:37]1(-[c:50]2[c:51]([F:57])[cH:52][c:53]([OH:56])[cH:54][cH:55]2)[cH:38][cH:39][c:40]([CH2:43][C:44](=[O:45])[O:46][CH3:47])[cH:41][cH:42]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 80271Tri-o-tolylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27791534-Bromo-3-fluorophenolHCID 11219601Methyl 2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate

Product 1

HCID 57992143Methyl (2'-fluoro-4'-hydroxy-1,1'-biphenyl-4-yl)acetate

Sources & evidence

ORD record
ord-40f2f7f1885a413d82ba281a4a06e682
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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