Acetate → Cyanocyclohexylideneacetic acid

HRID 2341402Notes

Reaction equation

HRID 2341402 reaction equation
[C:1](#[N:2])[CH2:3][C:4](=[O:5])[OH:6].[CH3:15][C:16](=[O:17])[O-:18].[CH3:19][C:20](=[O:21])[OH:22].[NH4+:14].[O:7]=[C:8]1[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]1.[cH:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[C:1](#[N:2])[C:3]([C:4](=[O:5])[OH:6])=[C:8]1[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]1

Participants

7

Reactant 6

HCID 175AcetateHCID 176Acetic AcidHCID 223AmmoniumHCID 241BenzeneHCID 7967CyclohexanoneHCID 9740Cyanoacetic acid

Product 1

HCID 97457Cyanocyclohexylideneacetic acid

Sources & evidence

ORD record
ord-9bd7e0f8049a48e8bf60753740de7fcc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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