Acetate → Benzyl 5-[5-cyano-2-(3-ethoxy-3-oxoprop-1-enyl)phenoxy]-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

HRID 115831Notes

Reaction equation

HRID 115831 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][CH2:11][C:12](=[O:13])[O:14][CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[CH2:22][O:23][c:24]1[c:25]([I:32])[cH:26][cH:27][c:28]([C:30]#[N:31])[cH:29]1.[C:33]([CH:34]=[CH2:35])(=[O:36])[O:37][CH2:38][CH3:39].[C:52]([O-:53])(=[O:54])[CH3:55].[C:57]([O-:58])(=[O:59])[CH3:60].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[Pd+2:56]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][CH2:11][C:12](=[O:13])[O:14][CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[CH2:22][O:23][c:24]1[c:25]([CH:35]=[CH:34][C:33](=[O:36])[O:37][CH2:38][CH3:39])[cH:26][cH:27][c:28]([C:30]#[N:31])[cH:29]1

Participants

7

Reactant 6

HCID 175Acetate2×HCID 6228DimethylformamideHCID 8471TriethylamineHCID 8821Ethyl AcrylateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 178453486HCID 178453486, compound

Product 1

HCID 69921164Benzyl 5-[5-cyano-2-(3-ethoxy-3-oxoprop-1-enyl)phenoxy]-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Sources & evidence

ORD record
ord-f81a839b99fb42959adf49266a168b08
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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