Sodium ion → Dicyclohexylammonium

HRID 1149050Notes

Reaction equation

HRID 1149050 reaction equation
[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH:31]1([NH:37][CH:38]2[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]2)[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]1.[F:6][C:7]([c:8]1[cH:9][c:10]([CH2:18][C:19](=[O:20])[OH:21])[cH:11][c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]1)([F:22])[F:23].[I:24][CH3:25].[Na+:30].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[S:26](=[O:27])([OH:28])[O-:29]>>[CH3:1][CH:18]([c:10]1[cH:9][c:8]([C:7]([F:6])([F:22])[F:23])[cH:13][c:12]([C:14]([F:15])([F:16])[F:17])[cH:11]1)[C:19](=[O:20])[O-:21].[CH:31]1([NH2+:37][CH:38]2[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]2)[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]1

Participants

9

Reactant 7

HCID 923Sodium ionHCID 6328Methyl iodideHCID 7582DicyclohexylamineHCID 8028TetrahydrofuranHCID 104748BisulfiteHCID 1235873,5-Bis(trifluoromethyl)phenylacetic acidHCID 178418339Butyllithium

Product 2

HCID 3770554DicyclohexylammoniumHCID 21955181HCID 21955181, compound

Sources & evidence

ORD record
ord-7e7422c608104a7580809148153621d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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