Acetate → 2-Chloro-5-(4-(2-nitro-ethyl)-benzyl)furan

HRID 142182Notes

Reaction equation

HRID 142182 reaction equation
[BH4-:25].[CH3:21][C:22](=[O:23])[O-:24].[CH3:28][C:29](=[O:30])[OH:31].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:7][c:8]2[cH:9][cH:10][c:11]([CH:12]=[O:13])[cH:14][cH:15]2)[o:6]1.[N+:16](=[O:17])([O-:18])[CH3:19].[NH4+:20].[Na+:26].[OH2:27]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:7][c:8]2[cH:9][cH:10][c:11]([CH2:12][CH2:19][N+:16](=[O:17])[O-:18])[cH:14][cH:15]2)[o:6]1

Participants

9

Reactant 8

HCID 175AcetateHCID 176Acetic AcidHCID 223AmmoniumHCID 923Sodium ionHCID 962WaterHCID 6375NitromethaneHCID 28123BorohydrideHCID 59255186HCID 59255186, compound

Product 1

HCID 592553222-Chloro-5-(4-(2-nitro-ethyl)-benzyl)furan

Sources & evidence

ORD record
ord-0431ac7379494e9fa06ace38124de83b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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