Acetate → 2-(3-Fluoro-phenoxy)-5-(2-nitro-ethyl)-pyridine

HRID 121403Notes

Reaction equation

HRID 121403 reaction equation
[BH4-:26].[CH3:22][C:23](=[O:24])[O-:25].[CH3:34][C:35](=[O:36])[OH:37].[CH3:38][S:39](=[O:40])[CH3:41].[F:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][c:9]([CH:12]=[O:13])[cH:10][n:11]2)[cH:14][cH:15][cH:16]1.[N+:17](=[O:18])([O-:19])[CH3:20].[NH4+:21].[Na+:27].[Na+:28].[OH2:33].[OH:29][C:30](=[O:31])[O-:32]>>[F:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][c:9]([CH2:12][CH2:20][N+:17](=[O:18])[O-:19])[cH:10][n:11]2)[cH:14][cH:15][cH:16]1

Participants

11

Reactant 10

HCID 175AcetateHCID 176Acetic AcidHCID 223AmmoniumHCID 679Dimethyl SulfoxideHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 962WaterHCID 6375NitromethaneHCID 28123BorohydrideHCID 59255292HCID 59255292, compound

Product 1

HCID 592554082-(3-Fluoro-phenoxy)-5-(2-nitro-ethyl)-pyridine

Sources & evidence

ORD record
ord-134aa72c0efd442092653fedc8809493
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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