Ammonium → 4-[(1,4-Dibenzylpiperazin-2-yl)methyl]-3,3-dimethylpiperazin-2-one

HRID 318981Notes

Reaction equation

HRID 318981 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[CH3:1][S:2]([O:3][CH2:6][CH:7]1[N:8]([CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[CH2:9][CH2:10][N:11]([CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH2:12]1)(=[O:4])=[O:5].[CH3:27][C:28]1([CH3:35])[C:29](=[O:34])[NH:30][CH2:31][CH2:32][NH:33]1.[CH3:53][C:54]#[N:55].[CH:45]([Cl:46])([Cl:47])[Cl:48].[CH:49]([OH:50])([CH3:51])[CH3:52].[Cl-:42].[K+:40].[K+:41].[NH4+:43].[OH2:44]>>[CH2:6]([CH:7]1[N:8]([CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[CH2:9][CH2:10][N:11]([CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH2:12]1)[N:33]1[C:28]([CH3:27])([CH3:35])[C:29](=[O:34])[NH:30][CH2:31][CH2:32]1

Participants

11

Reactant 10

HCID 223AmmoniumHCID 312ChlorideHCID 813Potassium Cation2×HCID 962WaterHCID 3776IsopropanolHCID 6212ChloroformHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 2111572-Piperazinone, 3,3-dimethyl-HCID 123305283(1,4-Dibenzylpiperazin-2-yl)methyl methanesulfonate

Product 1

HCID 771486804-[(1,4-Dibenzylpiperazin-2-yl)methyl]-3,3-dimethylpiperazin-2-one

Sources & evidence

ORD record
ord-a578f357f3f3415aa07a63e3289c80be
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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