Sodium ion → Benzyl 3-(2-cyano-3-nitrophenoxy)-2,2-dimethylpropanoate

HRID 1127872Notes

Reaction equation

HRID 1127872 reaction equation
[CH2:32]1[O:33][CH2:34][CH2:35][CH2:36]1.[H-:17].[N+:18](=[O:19])([O-:20])[c:21]1[c:22]([C:23]#[N:24])[c:25]([N+:29]([O-:30])=[O:31])[cH:26][cH:27][cH:28]1.[Na+:16].[OH:1][CH2:2][C:3]([C:4](=[O:5])[O:6][CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([CH3:14])[CH3:15]>>[O:1]([CH2:2][C:3]([C:4](=[O:5])[O:6][CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([CH3:14])[CH3:15])[c:25]1[c:22]([C:23]#[N:24])[c:21]([N+:18](=[O:19])[O-:20])[cH:28][cH:27][cH:26]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 8028TetrahydrofuranHCID 166653HydrideHCID 520718DinitrobenzonitrileHCID 18922595Benzyl 3-hydroxy-2,2-dimethylpropanoate

Product 1

HCID 66747122Benzyl 3-(2-cyano-3-nitrophenoxy)-2,2-dimethylpropanoate

Sources & evidence

ORD record
ord-5663fa9d540240da939f929d6709768f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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