Potassium Cation → 8-[4-(2-Methyl-4-fluorophenyl)-4,4-ethylenedioxybutyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4,5]decane

HRID 1571799Notes

Reaction equation

HRID 1571799 reaction equation
[C:35](=[O:36])([O-:37])[O-:38].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[Cl:1][CH2:2][CH2:3][CH2:4][C:5]1([c:10]2[c:11]([CH3:17])[cH:12][c:13]([F:16])[cH:14][cH:15]2)[O:6][CH2:7][CH2:8][O:9]1.[I-:42].[K+:39].[K+:40].[K+:41].[O:18]=[C:19]1[NH:20][CH2:21][N:22]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[C:23]12[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]2.[OH2:43]>>[CH2:2]([CH2:3][CH2:4][C:5]1([c:10]2[c:11]([CH3:17])[cH:12][c:13]([F:16])[cH:14][cH:15]2)[O:6][CH2:7][CH2:8][O:9]1)[N:26]1[CH2:25][CH2:24][C:23]2([C:19](=[O:18])[NH:20][CH2:21][N:22]2[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[CH2:28][CH2:27]1

Participants

8

Reactant 7

HCID 813Potassium Cation3×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 30165Iodide IonHCID 705561-Phenyl-1,3,8-triazaspiro(4.5)decan-4-oneHCID 130029542-(3-Chloropropyl)-2-(4-fluoro-2-methylphenyl)-1,3-dioxolane

Product 1

HCID 205602688-[4-(2-Methyl-4-fluorophenyl)-4,4-ethylenedioxybutyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4,5]decane

Sources & evidence

ORD record
ord-fb5c7bcea06a4358b4a94d616dcb752b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…