Hydrochloric Acid → 3-((4-Methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)aniline

HRID 1127895Notes

Reaction equation

HRID 1127895 reaction equation
[BH3:26].[ClH:27].[NH2:1][c:2]1[cH:3][c:4]([C:12](=[O:13])[N:14]2[CH2:15][CH2:16][N:17]([CH3:20])[CH2:18][CH2:19]2)[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1.[Na+:28].[Na+:29].[O-:30][C:31](=[O:32])[O-:33].[O:21]1[CH2:22][CH2:23][CH2:24][CH2:25]1.[O:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1>>[NH2:1][c:2]1[cH:3][c:4]([CH2:12][N:14]2[CH2:15][CH2:16][N:17]([CH3:20])[CH2:18][CH2:19]2)[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 6331BoraneHCID 8028Tetrahydrofuran2×HCID 19660Carbonate IonHCID 23154990(3-Amino-5-(trifluoromethyl)phenyl)(4-methylpiperazin-1-yl)methanone

Product 1

HCID 231550523-((4-Methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)aniline

Sources & evidence

ORD record
ord-2e8d883488f649779633b596110015be
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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