Potassium Cation → Chloride

HRID 170384Notes

Reaction equation

HRID 170384 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[CH2:9][CH2:10][CH2:11][Cl:12])=[O:13].[CH:14]([N:15]([CH2:16][CH3:17])[CH:18]([CH3:19])[CH3:20])([CH3:21])[CH3:22].[I-:55].[K+:48].[K+:49].[N:23]12[CH2:24][CH:25]([O:31][C:32]([C:33]([c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)([c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[OH:46])=[O:47])[CH:26]([CH2:27][CH2:28]1)[CH2:29][CH2:30]2.[Na+:54].[O-:50][C:51]([O-:52])=[O:53].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[CH2:9][CH2:10][CH2:11][N+:23]12[CH2:24][CH:25]([O:31][C:32]([C:33]([c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)([c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[OH:46])=[O:47])[CH:26]([CH2:27][CH2:28]1)[CH2:29][CH2:30]2)=[O:13].[Cl-:12]

Participants

10

Reactant 8

HCID 813Potassium Cation2×HCID 923Sodium ionHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 230563-Quinuclidinyl benzilateHCID 30165Iodide IonHCID 81531DiisopropylethylamineHCID 14194551tert-Butyl (3-chloropropyl)methylcarbamate

Product 2

HCID 312ChlorideHCID 178483699[1-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-diphenylacetate

Sources & evidence

ORD record
ord-d674614c94114741966ec9232e1e6090
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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