Nitrogen → 2-[4-(2-Methyl-[1,3]dioxolan-2-yl)-butyl]-4-nitro-2H-[1,2,3]triazole

HRID 88169

Reaction equation

[Br:17][CH2:18][CH2:19][CH2:20][CH2:21][C:22]1([CH3:27])[O:23][CH2:24][CH2:25][O:26]1.[C:11](=[O:12])([O-:13])[O-:14].[Cs+:15].[Cs+:16].[N+:3](=[O:4])([O-:5])[c:6]1[n:7][nH:8][n:9][cH:10]1.[N:1]#[N:2].[OH2:28]>>[N+:3](=[O:4])([O-:5])[c:6]1[n:7][n:8]([CH2:18][CH2:19][CH2:20][CH2:21][C:22]2([CH3:27])[O:23][CH2:24][CH2:25][O:26]2)[n:9][cH:10]1

Participants

Reactant 6

HCID 947Nitrogen

HCID 962Water

HCID 19660Carbonate Ion

HCID 104967Cesium cation2×

HCID 2781504-nitro-2H-1,2,3-triazole

HCID 5600132-(4-Bromobutyl)-2-methyl-1,3-dioxolane

Product 1

HCID 673657742-[4-(2-Methyl-[1,3]dioxolan-2-yl)-butyl]-4-nitro-2H-[1,2,3]triazole

Sources & evidence

ORD record: ord-529a8ad0975540fc8694668db5608b89
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Linked notes

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