Ethanol → N,3,3-trimethyl-2-[[3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]-N-[3-methyl-1-(3-methyl-2,5-dioxoimidazolidin-4-ylidene)butan-2-yl]butanamide

HRID 140492Notes

Reaction equation

HRID 140492 reaction equation
[CH2:1]([O:2][P:3](=[O:4])([O:5][CH2:6][CH3:7])[CH:9]1[N:10]([CH3:16])[C:11](=[O:15])[NH:12][C:13]1=[O:14])[CH3:8].[CH3:50][CH2:51][OH:52].[CH:20](=[O:21])[CH:22]([CH:23]([CH3:24])[CH3:25])[N:26]([C:27](=[O:28])[CH:29]([C:30]([CH3:31])([CH3:32])[CH3:33])[NH:34][C:35]([CH:36]([C:37]([CH3:38])([c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)[CH3:45])[NH:46][CH3:47])=[O:48])[CH3:49].[Li+:19].[OH-:18].[OH2:17].[OH2:53]>>[C:9]1(=[CH:20][CH:22]([CH:23]([CH3:24])[CH3:25])[N:26]([C:27](=[O:28])[CH:29]([C:30]([CH3:31])([CH3:32])[CH3:33])[NH:34][C:35]([CH:36]([C:37]([CH3:38])([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[CH3:45])[NH:46][CH3:47])=[O:48])[CH3:49])[N:10]([CH3:16])[C:11](=[O:15])[NH:12][C:13]1=[O:14]

Participants

7

Reactant 6

HCID 702EthanolHCID 961HydroxideHCID 962Water2×HCID 28486Lithium ionHCID 13937024HCID 13937024, compoundHCID 72370856N-{1-[(1-Formyl-2-methyl-propyl)-methyl-carbamoyl]-2,2-dimethyl-propyl}-3-methyl-2-methylamino-3-phenyl-butyramide

Product 1

HCID 178484702N,3,3-trimethyl-2-[[3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]-N-[3-methyl-1-(3-methyl-2,5-dioxoimidazolidin-4-ylidene)butan-2-yl]butanamide

Sources & evidence

ORD record
ord-37ab82229d5f476b847e321a81cc9b02
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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