Citric Acid → 2-(5-Methyl-2-phenyl-4-oxazolyl)ethanol

HRID 1152719Notes

Reaction equation

HRID 1152719 reaction equation
[C:29]([OH:30])(=[O:31])[CH2:32][C:33]([CH2:34][C:35]([OH:36])=[O:37])([C:38]([OH:39])=[O:40])[OH:41].[CH2:19]([Al+:20][CH2:21][CH:22]([CH3:23])[CH3:24])[CH:25]([CH3:26])[CH3:27].[CH3:1][c:2]1[c:3]([CH2:13][C:14](=[O:15])[O:16][CH3:17])[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1.[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[H-:18].[OH2:28].[OH2:49]>>[CH3:1][c:2]1[c:3]([CH2:13][CH2:14][OH:15])[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1

Participants

7

Reactant 6

HCID 311Citric AcidHCID 962Water2×HCID 1140TolueneHCID 166653HydrideHCID 2775318Methyl (5-methyl-2-phenyl-1,3-oxazol-4-yl)acetateHCID 16686348Bis(2-methylpropyl)alumanylium

Product 1

HCID 7255852-(5-Methyl-2-phenyl-4-oxazolyl)ethanol

Sources & evidence

ORD record
ord-2925caa2d32c4045b3b93c0fdd3af9aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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