Acetic Acid → 1-Butoxymethyl-4-(2-nitroethyl)-benzene

HRID 2141300Notes

Reaction equation

HRID 2141300 reaction equation
[BH4-:23].[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][c:7]1[cH:8][cH:9][c:10]([CH:11]=[O:12])[cH:13][cH:14]1.[CH3:19][O-:20].[CH3:25][OH:26].[CH3:27][S:28](=[O:29])[CH3:30].[CH3:31][C:32](=[O:33])[OH:34].[ClH:22].[N+:15](=[O:16])([O-:17])[CH3:18].[Na+:21].[Na+:24]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][c:7]1[cH:8][cH:9][c:10]([CH2:11][CH2:18][N+:15](=[O:16])[O-:17])[cH:13][cH:14]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 887MethanolHCID 923Sodium ion2×HCID 6375NitromethaneHCID 28123BorohydrideHCID 3826051MethoxideHCID 592553394-(Butoxymethyl)benzaldehyde

Product 1

HCID 592554311-Butoxymethyl-4-(2-nitroethyl)-benzene

Sources & evidence

ORD record
ord-9268b6661d674970bcefd065a11f1d27
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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