Acetic Acid → HCID 291123, compound

HRID 2156702Notes

Reaction equation

HRID 2156702 reaction equation
[CH3:25][C:26](=[O:27])[OH:28].[NH2:19][CH2:20][CH2:21][C:22]([OH:23])=[O:24].[O:12]=[C:13]1[CH2:14][NH:15][C:16](=[O:17])[NH:18]1.[OH2:29].[OH:1][c:2]1[c:3]([O:10][CH3:11])[cH:4][c:5]([CH:6]=[O:7])[cH:8][cH:9]1>>[OH:1][c:2]1[c:3]([O:10][CH3:11])[cH:4][c:5]([CH:6]=[C:14]2[C:13](=[O:12])[NH:18][C:16](=[O:17])[NH:15]2)[cH:8][cH:9]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 239Beta-AlanineHCID 962WaterHCID 1183VanillinHCID 10006Hydantoin

Product 1

HCID 291123HCID 291123, compound

Sources & evidence

ORD record
ord-bf9c8002b5d14bdb8fc14aee132d371a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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