Acetate → HCID 67341625, compound

HRID 681631Notes

Reaction equation

HRID 681631 reaction equation
[CH3:12][O:13][C:14](=[O:15])[CH2:16][C:17]#[N:18].[CH3:19][C:20](=[O:21])[OH:22].[CH3:24][C:25](=[O:26])[O-:27].[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[NH4+:23].[c:1]1([CH2:7][CH2:8][C:9]([CH3:10])=[O:11])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][CH2:8][C:9]([CH3:10])=[C:16]([C:14]([O:13][CH3:12])=[O:15])[C:17]#[N:18])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 175AcetateHCID 176Acetic AcidHCID 223AmmoniumHCID 1140TolueneHCID 7747Methyl cyanoacetateHCID 17355Benzyl acetone

Product 1

HCID 67341625HCID 67341625, compound

Sources & evidence

ORD record
ord-d48c8d9bf76b4a0c8ea91ee404bead73
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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