Acetate → Water

HRID 165500Notes

Reaction equation

HRID 165500 reaction equation
[CH3:18][C:19](=[O:20])[O-:21].[CH3:1][c:2]1[c:3]([C:14]([CH3:15])=[O:16])[n:4][c:5](-[c:7]2[c:8]([CH3:13])[cH:9][n:10][cH:11][cH:12]2)[nH:6]1.[ClH:22].[NH2:23][OH:24].[Na+:17].[OH2:25]>>[CH3:1][c:2]1[c:3]([C:14]([CH3:15])=[N:23][OH:24])[n:4][c:5](-[c:7]2[c:8]([CH3:13])[cH:9][n:10][cH:11][cH:12]2)[nH:6]1.[OH2:16]

Participants

8

Reactant 6

HCID 175AcetateHCID 313Hydrochloric AcidHCID 787HydroxylamineHCID 923Sodium ionHCID 962WaterHCID 133879411-[5-Methyl-2-(3-methyl-4-pyridinyl)-1H-imidazol-4-yl]ethanone

Product 2

HCID 962WaterHCID 136399313N-[1-[5-methyl-2-(3-methyl-4-pyridinyl)-1H-imidazol-4-yl]ethylidene]hydroxylamine

Sources & evidence

ORD record
ord-213963a8fd6149128bcd7befb2458a10
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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