Sodium ion → 1-(4-Chloro-2-fluorophenyl)piperazine

HRID 2320481Notes

Reaction equation

HRID 2320481 reaction equation
[Br:59][c:60]1[c:61]([F:67])[cH:62][c:63]([Cl:66])[cH:64][cH:65]1.[CH2:1]1[CH2:2][NH:3][CH2:4][CH2:5][NH:6]1.[CH3:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[CH3:7][C:8]([CH3:9])([O-:10])[CH3:11].[Na+:12].[cH:13]1[cH:14][cH:15][c:16]([P:17]([c:18]2[cH:19][cH:20][c:21]3[c:22]([cH:23][cH:24][cH:25][cH:26]3)[c:27]2-[c:28]2[c:29]3[c:30]([cH:31][cH:32][cH:33][cH:34]3)[cH:35][cH:36][c:37]2[P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58]1>>[CH2:1]1[CH2:2][N:3]([c:60]2[c:61]([F:67])[cH:62][c:63]([Cl:66])[cH:64][cH:65]2)[CH2:4][CH2:5][NH:6]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 1140TolueneHCID 4837PiperazineHCID 1372751-Bromo-4-chloro-2-fluorobenzeneHCID 634876Binap, (A+-)-HCID 45749132-Methylpropan-2-olate

Product 1

HCID 27831231-(4-Chloro-2-fluorophenyl)piperazine

Sources & evidence

ORD record
ord-dc73b030279b4bb8aca6607b1569230e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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