Acetate → Methyl 3-[4-(4-pentylphenyl)phenyl]acrylate

HRID 199391Notes

Reaction equation

HRID 199391 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])[cH:12][cH:13]2)[cH:6][cH:7]1.[C:19]([CH:20]=[CH2:21])(=[O:22])[O:23][CH3:24].[C:55]([O-:56])(=[O:57])[CH3:58].[C:60]([O-:61])(=[O:62])[CH3:63].[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[ClH:47].[OH2:70].[Pd+2:59].[c:25]1([CH3:26])[cH:27][cH:28][cH:29][cH:30][c:31]1[P:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][c:38]1[CH3:39])[c:40]1[cH:41][cH:42][cH:43][cH:44][c:45]1[CH3:46]>>[c:2]1([CH:21]=[CH:20][C:19](=[O:22])[O:23][CH3:24])[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])[cH:12][cH:13]2)[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 313Hydrochloric AcidHCID 962WaterHCID 7294Methyl AcrylateHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 80271Tri-o-tolylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 6187094-Bromo-4'-pentylbiphenyl

Product 1

HCID 54407370Methyl 3-[4-(4-pentylphenyl)phenyl]acrylate

Sources & evidence

ORD record
ord-a1269a423e5c4413ba1d88a335c0f2c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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