Acetic Acid → HCID 54399126, compound

HRID 694966Notes

Reaction equation

HRID 694966 reaction equation
[CH2:1]([CH:2]([CH3:3])[CH3:4])[NH2:5].[CH3:10][c:11]1[cH:12][cH:13][c:14]([N:17]2[C:18](=[O:26])[NH:19][CH:20]([S:24][CH3:25])[NH:21][C:22]2=[O:23])[cH:15][cH:16]1.[CH3:6][C:7](=[O:8])[OH:9].[OH2:27]>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[NH:5][CH:20]1[NH:19][C:18](=[O:26])[N:17]([c:14]2[cH:13][cH:12][c:11]([CH3:10])[cH:16][cH:15]2)[C:22](=[O:23])[NH:21]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 6558IsobutylamineHCID 538772003-(4-Methylphenyl)-6-methylthiotetrahydro-1,3,5-triazine-2,4-dione

Product 1

HCID 54399126HCID 54399126, compound

Sources & evidence

ORD record
ord-fc393b187fd449c891dbee5d6a0b6bc4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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