Acetate → Acetophenone

HRID 687687Notes

Reaction equation

[C:16]1(=[O:25])[CH2:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]21.[C:1]([CH2:2][C:3]([OH:4])=[O:5])#[N:6].[CH3:12][C:13](=[O:14])[O-:15].[CH3:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[CH3:7][C:8](=[O:9])[OH:10].[NH4+:11]>>[C:16]([CH3:17])([c:24]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)=[O:25]

Participants

Reactant 6

HCID 9740Cyanoacetic acid

Product 1

HCID 7410Acetophenone

Sources & evidence

ORD record: ord-43b15ef8a82a4a2f93a1ec86d55dd371
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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