Potassium Cation → 1-[4-Cyano-5-methyl-4-(2-naphthyl)hexyl]-4-[2-(4-fluorophenoxy)ethyl]piperazine

HRID 1564065Notes

Reaction equation

HRID 1564065 reaction equation
[C:1](#[N:2])[C:3]([CH2:4][CH2:5][CH2:6][OH:7])([CH:8]([CH3:9])[CH3:10])[c:11]1[cH:12][c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]2[cH:19][cH:20]1.[C:35](=[O:36])([O-:37])[O-:38].[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[CH3:57][C:58]#[N:59].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[F:41][c:42]1[cH:43][cH:44][c:45]([O:46][CH2:47][CH2:48][N:49]2[CH2:50][CH2:51][NH:52][CH2:53][CH2:54]2)[cH:55][cH:56]1.[I-:34].[K+:39].[K+:40].[Na+:33].[OH2:60].[S:28]([Cl:29])([CH3:30])(=[O:31])=[O:32]>>[C:1](#[N:2])[C:3]([CH2:4][CH2:5][CH2:6][N:52]1[CH2:51][CH2:50][N:49]([CH2:48][CH2:47][O:46][c:45]2[cH:44][cH:43][c:42]([F:41])[cH:56][cH:55]2)[CH2:54][CH2:53]1)([CH:8]([CH3:9])[CH3:10])[c:11]1[cH:12][c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]2[cH:19][cH:20]1

Participants

12

Reactant 11

HCID 813Potassium Cation2×HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 8471TriethylamineHCID 19660Carbonate IonHCID 30165Iodide IonHCID 31297Methanesulfonyl chlorideHCID 8950271-[2-(4-Fluorophenoxy)ethyl]piperazineHCID 223937754-Cyano-5-methyl-4-(2-naphthyl)hexanol

Product 1

HCID 223936531-[4-Cyano-5-methyl-4-(2-naphthyl)hexyl]-4-[2-(4-fluorophenoxy)ethyl]piperazine

Sources & evidence

ORD record
ord-52d3d5de954c4281a8011f1be973bdd8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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