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

HRID 1575070Notes

Reaction equation

HRID 1575070 reaction equation
[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:1][N:2]1[CH:3]([CH2:9][OH:10])[CH2:4][N:5]([CH3:8])[CH2:6][CH2:7]1.[H-:11].[Na+:12].[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>>[CH3:1][N:2]1[CH:3]([CH2:9][O:10][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])[CH2:4][N:5]([CH3:8])[CH2:6][CH2:7]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 8028TetrahydrofuranHCID 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-92f9297194ca4488baf0c2f5152d8eef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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