Sodium ion → 3-[4-(4-Methanesulfonylpiperazin-1-yl)phenyl]-3,8-diazabicyclo[3.2.1]-octane-8-carboxylic acid tert-butyl ester

HRID 1204832Notes

Reaction equation

HRID 1204832 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]2[CH2:10][N:11]([c:16]3[cH:17][cH:18][c:19]([Br:22])[cH:20][cH:21]3)[CH2:12][CH:13]1[CH2:14][CH2:15]2.[CH3:23][S:24](=[O:25])(=[O:26])[N:27]1[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]1.[CH3:33][C:34]([CH3:35])([O-:36])[CH3:37].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[Na+:38]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]2[CH2:10][N:11]([c:16]3[cH:17][cH:18][c:19]([N:30]4[CH2:29][CH2:28][N:27]([S:24]([CH3:23])(=[O:25])=[O:26])[CH2:32][CH2:31]4)[cH:20][cH:21]3)[CH2:12][CH:13]1[CH2:14][CH2:15]2

Participants

6

Reactant 5

HCID 923Sodium ionHCID 1140TolueneHCID 7091611-(Methylsulfonyl)piperazineHCID 45749132-Methylpropan-2-olateHCID 67413521HCID 67413521, compound

Product 1

HCID 674134673-[4-(4-Methanesulfonylpiperazin-1-yl)phenyl]-3,8-diazabicyclo[3.2.1]-octane-8-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-fe358cdaca8f4ee392e7773ead52327c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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