Acetate → Methyl 2-acetylamino-3-(4-benzyloxy-3,5-dimethyl-phenyl)-acrylate

HRID 1133592Notes

Reaction equation

HRID 1133592 reaction equation
[C:18]([CH3:19])(=[O:20])[NH:21][C:22]([C:23](=[O:24])[O:25][CH3:26])=[CH2:27].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH3:17])[cH:11][c:12]([Br:16])[cH:13][c:14]1[CH3:15].[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[CH3:57][C:58]#[N:59].[O-:61][C:62]([CH3:63])=[O:64].[O-:65][C:66]([CH3:67])=[O:68].[Pd+2:60].[c:28]1([CH3:29])[cH:30][cH:31][cH:32][cH:33][c:34]1[P:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][c:41]1[CH3:42])[c:43]1[cH:44][cH:45][cH:46][cH:47][c:48]1[CH3:49]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH3:17])[cH:11][c:12]([CH:27]=[C:22]([NH:21][C:18]([CH3:19])=[O:20])[C:23](=[O:24])[O:25][CH3:26])[cH:13][c:14]1[CH3:15]

Participants

8

Reactant 7

HCID 175Acetate2×HCID 6342AcetonitrileHCID 8471TriethylamineHCID 80271Tri-o-tolylphosphineHCID 98644Methyl 2-acetamidoacrylateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 229631332-(Benzyloxy)-5-bromo-1,3-dimethylbenzene

Product 1

HCID 67273532Methyl 2-acetylamino-3-(4-benzyloxy-3,5-dimethyl-phenyl)-acrylate

Sources & evidence

ORD record
ord-84dd7edfa56b4598ba1b6fc96f2f0db1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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