Sodium ion → (1,4-Dimethylpiperazin-2-yl)methyl 4-phenylpiperazine-1-carboxylate

HRID 686356Notes

Reaction equation

HRID 686356 reaction equation
[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43].[CH3:3][N:4]1[CH:5]([CH2:11][OH:12])[CH2:6][N:7]([CH3:10])[CH2:8][CH2:9]1.[H-:1].[Na+:2].[c:13]1([N:19]2[CH2:20][CH2:21][N:22]([C:25](=[O:26])[O:27][c:28]3[cH:29][cH:30][c:31]([N+:32]([O-:33])=[O:34])[cH:35][cH:36]3)[CH2:23][CH2:24]2)[cH:14][cH:15][cH:16][cH:17][cH:18]1>>[CH3:3][N:4]1[CH:5]([CH2:11][O:12][C:25]([N:22]2[CH2:21][CH2:20][N:19]([c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[CH2:24][CH2:23]2)=[O:26])[CH2:6][N:7]([CH3:10])[CH2:8][CH2:9]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8900HeptaneHCID 166653HydrideHCID 2779170(1,4-Dimethylpiperazin-2-yl)methanolHCID 595944814-Nitrophenyl 4-phenylpiperazine-1-carboxylate

Product 1

HCID 74831805(1,4-Dimethylpiperazin-2-yl)methyl 4-phenylpiperazine-1-carboxylate

Sources & evidence

ORD record
ord-b43d7d6979ea4077941e457d2ec73ae4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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