Acetic Acid → HCID 398895, compound

HRID 2124388Notes

Reaction equation

HRID 2124388 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH:8]=[O:9])[cH:10][c:11]([C:14]([CH3:15])([CH3:16])[CH3:17])[c:12]1[OH:13].[CH3:31][C:32](=[O:33])[OH:34].[NH2:25][CH2:26][CH2:27][C:28]([OH:29])=[O:30].[O:18]=[C:19]1[CH2:20][NH:21][C:22](=[O:23])[NH:24]1.[OH2:35]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH:8]=[C:20]2[C:19](=[O:18])[NH:24][C:22](=[O:23])[NH:21]2)[cH:10][c:11]([C:14]([CH3:15])([CH3:16])[CH3:17])[c:12]1[OH:13]

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 239Beta-AlanineHCID 962WaterHCID 10006HydantoinHCID 732193,5-Di-tert-butyl-4-hydroxybenzaldehyde

Product 1

HCID 398895HCID 398895, compound

Sources & evidence

ORD record
ord-80bb903d4e7f473faa109e556ee1ed51
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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