Potassium Cation → trans-4-(4-Methanesulphonyl-piperazin-1-YL)-cyclohexylamine

HRID 122550Notes

Reaction equation

HRID 122550 reaction equation
[C:33]([O:34][BH-:35]([O:36][C:37](=[O:38])[CH3:39])[O:40][C:41](=[O:42])[CH3:43])(=[O:44])[CH3:45].[C:47](=[O:48])([O-:49])[O-:50].[CH2:1]([N:2]([CH2:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[CH:10]1[CH2:11][CH2:12][C:13](=[O:14])[CH2:15][CH2:16]1)[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1.[CH2:53]([N:60]([CH2:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:77]1)[CH:61]1[CH2:62][CH2:63][CH:64]([N:67]2[CH2:68][CH2:69][N:70]([S:73](=[O:74])(=[O:75])[CH3:76])[CH2:71][CH2:72]2)[CH2:65][CH2:66]1)[c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[CH3:23][S:24]([N:25]1[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]1)(=[O:31])=[O:32].[CH3:87][OH:88].[Cl:84][CH2:85][Cl:86].[K+:51].[K+:52].[Na+:46].[OH2:89]>>[NH2:60][CH:61]1[CH2:62][CH2:63][CH:64]([N:67]2[CH2:68][CH2:69][N:70]([S:73](=[O:74])(=[O:75])[CH3:76])[CH2:71][CH2:72]2)[CH2:65][CH2:66]1

Participants

11

Reactant 10

HCID 813Potassium Cation2×HCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 7091611-(Methylsulfonyl)piperazineHCID 2724942TriacetoxyborohydrideHCID 220099024-(Dibenzylamino)cyclohexan-1-oneHCID 67293114trans-Dibenzyl-[4-(4-methanesulphonyl-piperazin-1yl)-cyclohexyl]-amine

Product 1

HCID 55135826trans-4-(4-Methanesulphonyl-piperazin-1-YL)-cyclohexylamine

Sources & evidence

ORD record
ord-e95974c462114ed28ea8239cac29a5ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…