Sodium ion → (2-Cyclopentyloxy-6-ethoxy-3-methanesulfonyl-phenyl)-[4-(4-methanesulfonyl-phenyl)-piperazin-1-yl]-methanone

HRID 2138269Notes

Reaction equation

HRID 2138269 reaction equation
[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][cH:6][c:7]([S:29](=[O:30])(=[O:31])[CH3:32])[c:8]([F:28])[c:9]1[C:10](=[O:11])[N:12]1[CH2:13][CH2:14][N:15]([c:18]2[cH:19][cH:20][c:21]([S:24](=[O:25])(=[O:26])[CH3:27])[cH:22][cH:23]2)[CH2:16][CH2:17]1.[CH:33]1([O-:38])[CH2:34][CH2:35][CH2:36][CH2:37]1.[Na+:39]>>[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][cH:6][c:7]([S:29](=[O:30])(=[O:31])[CH3:32])[c:8]([O:38][CH:33]2[CH2:34][CH2:35][CH2:36][CH2:37]2)[c:9]1[C:10](=[O:11])[N:12]1[CH2:13][CH2:14][N:15]([c:18]2[cH:19][cH:20][c:21]([S:24](=[O:25])(=[O:26])[CH3:27])[cH:22][cH:23]2)[CH2:16][CH2:17]1

Participants

4

Reactant 3

HCID 923Sodium ionHCID 12371917CyclopentanolateHCID 69039060(6-Ethoxy-2-fluoro-3-methanesulfonyl-phenyl)-[4-(4-methanesulfonyl-phenyl)-piperazin-1-yl]-methanone

Product 1

HCID 69040251(2-Cyclopentyloxy-6-ethoxy-3-methanesulfonyl-phenyl)-[4-(4-methanesulfonyl-phenyl)-piperazin-1-yl]-methanone

Sources & evidence

ORD record
ord-b98f320f7ac44a879f9b2d39049d6967
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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