Methanol → N-[6-(3,3-dimethylbutylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-3-(2-oxopyrrolidin-1-yl)-5-propoxybenzamide

HRID 701013Notes

Reaction equation

HRID 701013 reaction equation
[Ba+2:49].[CH2:1]([CH:2]=[CH2:3])[O:4][c:5]1[cH:6][c:7]([C:8](=[O:9])[NH:10][CH:11]([CH:12]([CH2:13][CH:14]([CH3:15])[C:16]([NH:17][CH2:18][CH2:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[OH:25])[CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:33][c:34]([N:36]2[C:37](=[O:41])[CH2:38][CH2:39][CH2:40]2)[cH:35]1.[CH3:42][OH:43].[Pd+2:50].[S:44]([O-:45])([O-:46])(=[O:47])=[O:48].[S:51]([O-:52])([O-:53])(=[O:54])=[O:55]>>[CH2:1]([CH2:2][CH3:3])[O:4][c:5]1[cH:6][c:7]([C:8](=[O:9])[NH:10][CH:11]([CH:12]([CH2:13][CH:14]([CH3:15])[C:16]([NH:17][CH2:18][CH2:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[OH:25])[CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:33][c:34]([N:36]2[C:37](=[O:41])[CH2:38][CH2:39][CH2:40]2)[cH:35]1

Participants

6

Reactant 5

HCID 887MethanolHCID 1117Sulfate Ion2×HCID 104810Barium ionHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 22252985N-[6-(3,3-dimethylbutylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-3-(2-oxopyrrolidin-1-yl)-5-prop-2-enoxybenzamide

Product 1

HCID 22253060N-[6-(3,3-dimethylbutylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-3-(2-oxopyrrolidin-1-yl)-5-propoxybenzamide

Sources & evidence

ORD record
ord-355628a38fc34ccba02677ecba23452c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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