Sodium ion → (RS)-1-Benzenesulfonyl-4-[4-(2,5-dimethyl-phenyl)-piperazine-1-carbonyl]-3-isopropyl-imidazolidin-2-one

HRID 175734Notes

Reaction equation

HRID 175734 reaction equation
[CH:31]([CH3:32])([CH3:33])[N:34]=[C:35]=[O:36].[I-:30].[Na+:29].[c:1]1([S:7](=[O:8])(=[O:9])[N:10]2[CH:11]([C:13](=[O:14])[N:15]3[CH2:16][CH2:17][N:18]([c:21]4[c:22]([CH3:28])[cH:23][cH:24][c:25]([CH3:27])[cH:26]4)[CH2:19][CH2:20]3)[CH2:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[N:10]2[CH2:12][CH:11]([C:13](=[O:14])[N:15]3[CH2:16][CH2:17][N:18]([c:21]4[c:22]([CH3:28])[cH:23][cH:24][c:25]([CH3:27])[cH:26]4)[CH2:19][CH2:20]3)[N:34]([CH:31]([CH3:32])[CH3:33])[C:35]2=[O:36])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 923Sodium ionHCID 30165Iodide IonHCID 61277Isopropyl isocyanateHCID 86623480((R)-1-benzenesulfonyl-aziridin-2-yl)-[4-(2,5-dimethyl-phenyl)-piperazin-1-yl]-methanone

Product 1

HCID 25028147(RS)-1-Benzenesulfonyl-4-[4-(2,5-dimethyl-phenyl)-piperazine-1-carbonyl]-3-isopropyl-imidazolidin-2-one

Sources & evidence

ORD record
ord-9074733495c84fc8808653ae9ee2fab3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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