Acetate → 5-(2-Nitro-ethyl)-2-phenylsulfanyl-pyridine

HRID 2315069Notes

Reaction equation

HRID 2315069 reaction equation
[BH4-:25].[CH3:21][C:22](=[O:23])[O-:24].[CH3:33][C:34](=[O:35])[OH:36].[CH3:37][S:38](=[O:39])[CH3:40].[N+:16](=[O:17])([O-:18])[CH3:19].[NH4+:20].[Na+:26].[Na+:27].[OH2:32].[OH:28][C:29](=[O:30])[O-:31].[c:1]1([S:7][c:8]2[cH:9][cH:10][c:11]([CH:14]=[O:15])[cH:12][n:13]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7][c:8]2[cH:9][cH:10][c:11]([CH2:14][CH2:19][N+:16](=[O:17])[O-:18])[cH:12][n:13]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

11

Reactant 10

HCID 175AcetateHCID 176Acetic AcidHCID 223AmmoniumHCID 679Dimethyl SulfoxideHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 962WaterHCID 6375NitromethaneHCID 28123BorohydrideHCID 542168266-Phenylsulfanyl-pyridine-3-carbaldehyde

Product 1

HCID 592551965-(2-Nitro-ethyl)-2-phenylsulfanyl-pyridine

Sources & evidence

ORD record
ord-f96bbbba6d694219b9710a6acd2179d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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