Acetate → 3-(2-Nitroethyl)-5-phenoxypyridine

HRID 1551922Notes

Reaction equation

HRID 1551922 reaction equation
[BH4-:25].[CH3:21][C:22](=[O:23])[O-:24].[CH3:32][S:33](=[O:34])[CH3:35].[CH3:37][C:38](=[O:39])[OH:40].[N+:16](=[O:17])([O-:18])[CH3:19].[NH4+:20].[Na+:26].[Na+:27].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][c:10]([CH:14]=[O:15])[cH:11][n:12][cH:13]1.[OH2:36].[OH:28][C:29](=[O:30])[O-:31]>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][c:10]([CH2:14][CH2:19][N+:16](=[O:17])[O-:18])[cH:11][n:12][cH:13]1

Participants

11

Reactant 10

HCID 175AcetateHCID 176Acetic AcidHCID 223AmmoniumHCID 679Dimethyl SulfoxideHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 962WaterHCID 6375NitromethaneHCID 28123BorohydrideHCID 59255438HCID 59255438, compound

Product 1

HCID 592554813-(2-Nitroethyl)-5-phenoxypyridine

Sources & evidence

ORD record
ord-4f90cdb4203443a69fa5223a4f3bcddb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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