1-Butanol → 4-(2-Methoxy-5-trifluoromethyl-phenyl)-piperazine

HRID 302192Notes

Reaction equation

HRID 302192 reaction equation
[C:22](=[O:23])([O-:24])[O-:25].[CH2:32]([OH:33])[CH2:34][CH2:35][CH3:36].[CH3:1][O:2][c:3]1[c:4]([NH2:5])[cH:6][c:7]([C:10]([F:11])([F:12])[F:13])[cH:8][cH:9]1.[Cl:15][CH2:16][CH2:17][NH:18][CH2:19][CH2:20][Cl:21].[ClH:14].[I-:29].[K+:26].[K+:27].[K+:28].[Na+:31].[OH-:30].[OH2:37]>>[CH3:1][O:2][c:3]1[c:4]([N:5]2[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]2)[cH:6][c:7]([C:10]([F:11])([F:12])[F:13])[cH:8][cH:9]1

Participants

11

Reactant 10

HCID 2631-ButanolHCID 313Hydrochloric AcidHCID 813Potassium Cation3×HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 9533Bis(2-chloroethyl)amineHCID 19660Carbonate IonHCID 30165Iodide IonHCID 6006372-Methoxy-5-(trifluoromethyl)aniline

Product 1

HCID 151247944-(2-Methoxy-5-trifluoromethyl-phenyl)-piperazine

Sources & evidence

ORD record
ord-736914dcfc414a70bda1fa5d0615aef7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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