Sodium ion → Etonitazene 6-nitro isomer

HRID 1152937Notes

Reaction equation

HRID 1152937 reaction equation
[CH2:3]([CH3:4])[O:5][c:6]1[cH:7][cH:8][c:9]([CH2:10][c:11]2[n:12][c:13]3[c:14]([nH:15]2)[cH:16][cH:17][c:18]([N+:20](=[O:21])[O-:22])[cH:19]3)[cH:23][cH:24]1.[Cl:25][CH2:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[H-:1].[Na+:2].[O:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1>>[CH2:3]([CH3:4])[O:5][c:6]1[cH:7][cH:8][c:9]([CH2:10][c:11]2[n:12]([CH2:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32])[c:13]3[c:14]([n:15]2)[cH:16][cH:17][c:18]([N+:20](=[O:21])[O-:22])[cH:19]3)[cH:23][cH:24]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 13364Diethylaminoethyl chlorideHCID 312751,4-DioxaneHCID 166653HydrideHCID 178466243HCID 178466243, compound

Product 1

HCID 59799752Etonitazene 6-nitro isomer

Sources & evidence

ORD record
ord-cf33ceeaf1fc4e7b8c8c20be4a759c77
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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