Acetate → 2-[1-(4-Nitrophenyl)ethylidene]malononitrile

HRID 2148016Notes

Reaction equation

HRID 2148016 reaction equation
[CH3:14][C:15](=[O:16])[O-:17].[CH3:18][C:19](=[O:20])[OH:21].[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([C:10]([CH3:11])=[O:12])[cH:8][cH:9]1.[N:22]#[C:23][CH2:24][C:25]#[N:26].[NH4+:13].[O:27]1[CH2:28][CH2:29][O:30][CH2:31][CH2:32]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([C:10]([CH3:11])=[C:24]([C:23]#[N:22])[C:25]#[N:26])[cH:8][cH:9]1

Participants

9

Reactant 8

HCID 175AcetateHCID 176Acetic AcidHCID 223AmmoniumHCID 1140TolueneHCID 7487p-NitroacetophenoneHCID 8010MalononitrileHCID 8857Ethyl AcetateHCID 312751,4-Dioxane

Product 1

HCID 110420862-[1-(4-Nitrophenyl)ethylidene]malononitrile

Sources & evidence

ORD record
ord-1ebcdba36ce04bafa7b4ccb8960ebc3b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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