Acetate → HCID 86648061, compound

HRID 696259Notes

Reaction equation

HRID 696259 reaction equation
[CH3:20][C:21](=[O:22])[O-:23].[CH3:24][C:25](=[O:26])[OH:27].[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[F:1][c:2]1[c:3]([O:12][CH3:13])[cH:4][cH:5][c:6]2[c:10]1[C:9](=[O:11])[CH2:8][CH2:7]2.[N:14]#[C:15][CH2:16][C:17]#[N:18].[NH4+:19]>>[F:1][c:2]1[c:3]([O:12][CH3:13])[cH:4][cH:5][c:6]2[c:10]1[C:9](=[C:16]([C:15]#[N:14])[C:17]#[N:18])[CH2:8][CH2:7]2

Participants

7

Reactant 6

HCID 175AcetateHCID 176Acetic AcidHCID 223AmmoniumHCID 1140TolueneHCID 8010MalononitrileHCID 11206130HCID 11206130, compound

Product 1

HCID 86648061HCID 86648061, compound

Sources & evidence

ORD record
ord-df50b888a1ce4294bf618867e9c16ce1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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