Ethanol → 3-hydroxy-3-isopropylaminomethyl-7-nitro-3,4-dihydro-2H-1,5-benzodioxepin

HRID 1571267Notes

Reaction equation

HRID 1571267 reaction equation
[CH3:26][CH2:27][OH:28].[CH:1]([CH3:2])([CH3:3])[N:4]1[C:5](=[O:22])[O:6][C:7]2([CH2:8]1)[CH2:9][O:10][c:11]1[c:12]([cH:15][cH:16][c:17]([N+:19](=[O:20])[O-:21])[cH:18]1)[O:13][CH2:14]2.[Na+:24].[OH-:23].[OH2:25]>>[CH:1]([CH3:2])([CH3:3])[NH:4][CH2:8][C:7]1([OH:6])[CH2:9][O:10][c:11]2[c:12]([cH:15][cH:16][c:17]([N+:19](=[O:20])[O-:21])[cH:18]2)[O:13][CH2:14]1

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 155573273'-isopropyl-7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-3-spiro-5'-oxazolidin-2'-one

Product 1

HCID 155573303-hydroxy-3-isopropylaminomethyl-7-nitro-3,4-dihydro-2H-1,5-benzodioxepin

Sources & evidence

ORD record
ord-c7a1aa866cf54ccc9edde7c139efac1e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…