4-Nitro-3-trifluoromethylphenol → Tert-butyl 4-(3-(4-nitro-3-(trifluoromethyl)phenoxy)propyl)piperazine-1-carboxylate

HRID 2150840Notes

Reaction equation

HRID 2150840 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[CH3:15][S:16]([O:17][CH2:20][CH2:21][CH2:22][N:23]1[CH2:24][CH2:25][N:26]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:27][CH2:28]1)(=[O:18])=[O:19].[Cs+:40].[Cs+:41].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([C:11]([F:12])([F:13])[F:14])[cH:6][c:7]([OH:10])[cH:8][cH:9]1>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([C:11]([F:12])([F:13])[F:14])[cH:6][c:7]([O:10][CH2:20][CH2:21][CH2:22][N:23]2[CH2:24][CH2:25][N:26]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:27][CH2:28]2)[cH:8][cH:9]1

Participants

5

Reactant 4

HCID 69314-Nitro-3-trifluoromethylphenolHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 15540662tert-Butyl 4-(3-((methylsulfonyl)oxy)propyl)piperazine-1-carboxylate

Product 1

HCID 59349553Tert-butyl 4-(3-(4-nitro-3-(trifluoromethyl)phenoxy)propyl)piperazine-1-carboxylate

Sources & evidence

ORD record
ord-dfe6cd820b934ef39b863200fe6b8399
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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