Acetate → Ethyl 3-[3-(4-methoxybenzoyl)phenyl]prop-2-enoate

HRID 2331244Notes

Reaction equation

HRID 2331244 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[c:7]2[cH:8][cH:9][c:10]([O:13][CH3:14])[cH:11][cH:12]2)[cH:15][cH:16][cH:17]1.[C:18]([CH:19]=[CH2:20])(=[O:21])[O:22][CH2:23][CH3:24].[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:51][C:52]#[N:53].[O-:55][C:56]([CH3:57])=[O:58].[O-:59][C:60]([CH3:61])=[O:62].[OH2:63].[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>>[c:2]1([CH:20]=[CH:19][C:18](=[O:21])[O:22][CH2:23][CH3:24])[cH:3][c:4]([C:5](=[O:6])[c:7]2[cH:8][cH:9][c:10]([O:13][CH3:14])[cH:11][cH:12]2)[cH:15][cH:16][cH:17]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 962WaterHCID 6342AcetonitrileHCID 8471TriethylamineHCID 8821Ethyl AcrylateHCID 11776TriphenylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2757031(3-bromophenyl)(4-methoxyphenyl)methanone

Product 1

HCID 53737127Ethyl 3-[3-(4-methoxybenzoyl)phenyl]prop-2-enoate

Sources & evidence

ORD record
ord-80834579cb64437380b28937f0e486da
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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