Acetate → 2,4-Diethoxybenzonitrile

HRID 134034Notes

Reaction equation

HRID 134034 reaction equation
[CH2:1]([CH3:2])[O:3][c:4]1[c:5]([CH:6]=[O:7])[cH:8][cH:9][c:10]([O:12][CH2:13][CH3:14])[cH:11]1.[CH3:16][C:17](=[O:18])[O-:19].[CH3:20][CH2:21][N+:22](=[O:23])[O-:24].[CH3:25][C:26](=[O:27])[OH:28].[Na+:15]>>[CH2:1]([CH3:2])[O:3][c:4]1[c:5]([C:6]#[N:22])[cH:8][cH:9][c:10]([O:12][CH2:13][CH3:14])[cH:11]1

Participants

6

Reactant 5

HCID 175AcetateHCID 176Acetic AcidHCID 923Sodium ionHCID 6587NitroethaneHCID 5864562,4-Diethoxybenzaldehyde

Product 1

HCID 227211912,4-Diethoxybenzonitrile

Sources & evidence

ORD record
ord-04a2b2dd761b4e4aa0122a58f4642248
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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