Acetate → 2,6-Diethoxy-4'-fluoro-biphenyl-4-carbaldehyde

HRID 1238887Notes

Reaction equation

HRID 1238887 reaction equation
[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]([CH:7]=[O:8])[cH:9][c:10]([O:13][CH2:14][CH3:15])[c:11]1[I:12].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[CH:34]1([P:35]([CH:36]2[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]2)[CH:42]2[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]2)[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]1.[F:16][c:17]1[cH:18][cH:19][c:20]([B:23]([OH:24])[OH:25])[cH:21][cH:22]1.[K+:31].[K+:32].[K+:33].[O-:62][C:63]([CH3:64])=[O:65].[O-:66][C:67]([CH3:68])=[O:69].[O:53].[OH2:70].[P:26]([O-:27])([O-:28])([O-:29])=[O:30].[Pd+2:61]>>[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]([CH:7]=[O:8])[cH:9][c:10]([O:13][CH2:14][CH3:15])[c:11]1-[c:20]1[cH:19][cH:18][c:17]([F:16])[cH:22][cH:21]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962Water2×HCID 1061PhosphateHCID 1140TolueneHCID 75806TricyclohexylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2856454-Fluorophenylboronic acidHCID 226368083,5-Diethoxy-4-iodobenzaldehyde

Product 1

HCID 593831002,6-Diethoxy-4'-fluoro-biphenyl-4-carbaldehyde

Sources & evidence

ORD record
ord-9ca61739b22648e1b5ba3fa596437c7a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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