2-Nitropropane → HCID 15457066, compound

HRID 2348390Notes

Reaction equation

HRID 2348390 reaction equation
[CH3:1][O-:2].[CH3:33][CH2:34][OH:35].[CH3:4][CH:5]([N+:6](=[O:7])[O-:8])[CH3:9].[Cl:10][c:11]1[cH:12][c:13]([F:31])[c:14](-[c:19]2[c:20](=[O:30])[n:21]([CH3:29])[c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]2)[cH:15][c:16]1[CH2:17][Br:18].[Na+:3].[OH2:32]>>[O:8]=[CH:17][c:16]1[c:11]([Cl:10])[cH:12][c:13]([F:31])[c:14](-[c:19]2[c:20](=[O:30])[n:21]([CH3:29])[c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]2)[cH:15]1

Participants

7

Reactant 6

HCID 3982-NitropropaneHCID 702EthanolHCID 923Sodium ionHCID 962WaterHCID 3826051MethoxideHCID 15457065HCID 15457065, compound

Product 1

HCID 15457066HCID 15457066, compound

Sources & evidence

ORD record
ord-9e121fe3c80c45c68356c7f13d072896
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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