Sodium ion → 2-Fluoro-4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)aniline

HRID 2155116Notes

Reaction equation

HRID 2155116 reaction equation
[Br:1][c:2]1[cH:3][c:4]([F:13])[c:5]([NH2:6])[cH:7][c:8]1[C:9]([F:10])([F:11])[F:12].[C:21]([P:22]([C:23]([CH3:24])([CH3:25])[CH3:26])[c:27]1[cH:28][cH:29][cH:30][cH:31][c:32]1-[c:33]1[c:34]([CH:35]([CH3:36])[CH3:37])[cH:38][c:39]([CH:40]([CH3:41])[CH3:42])[cH:43][c:44]1[CH:45]([CH3:46])[CH3:47])([CH3:48])([CH3:49])[CH3:50].[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:14][N:15]1[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]1.[CH3:51][C:52]([CH3:53])([O-:54])[CH3:55].[Na+:56]>>[c:2]1([N:18]2[CH2:17][CH2:16][N:15]([CH3:14])[CH2:20][CH2:19]2)[cH:3][c:4]([F:13])[c:5]([NH2:6])[cH:7][c:8]1[C:9]([F:10])([F:11])[F:12]

Participants

7

Reactant 6

HCID 923Sodium ionHCID 8028TetrahydrofuranHCID 531671-MethylpiperazineHCID 45749132-Methylpropan-2-olateHCID 70180464-Bromo-2-fluoro-5-(trifluoromethyl)anilineHCID 11618717Di-tert-butyl(2',4',6'-tris(propan-2-yl)-(1,1'-biphenyl)-2-yl)phosphane

Product 1

HCID 671555682-Fluoro-4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)aniline

Sources & evidence

ORD record
ord-5b309d48e50640a2a54d4a349b3f774f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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