Ammonium → (5-Bromo-2-fluorophenyl)(2-fluoro-3-(methoxymethoxy)-6-(neopentyloxy)pyridin-4-yl)methanone

HRID 2130500Notes

Reaction equation

HRID 2130500 reaction equation
[Br:33][c:34]1[cH:35][cH:36][c:37]([F:42])[c:38]([CH:39]=[O:40])[cH:41]1.[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:45][N+:46]1([O-:52])[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1.[CH3:63][CH2:64][CH2:65][N+:66]([CH2:67][CH2:68][CH3:69])([CH2:70][CH2:71][CH3:72])[CH2:73][CH2:74][CH3:75].[CH3:6][C:7]1([CH3:8])[CH2:9][CH2:10][CH2:11][C:12]([CH3:13])([CH3:14])[NH:15]1.[CH3:76][CH2:77][O:78][C:79]([CH3:80])=[O:81].[Cl-:43].[F:16][c:17]1[n:18][c:19]([O:27][CH2:28][C:29]([CH3:30])([CH3:31])[CH3:32])[cH:20][cH:21][c:22]1[O:23][CH2:24][O:25][CH3:26].[NH4+:44].[O-:58][Ru:59](=[O:60])(=[O:61])=[O:62]>>[F:16][c:17]1[n:18][c:19]([O:27][CH2:28][C:29]([CH3:30])([CH3:31])[CH3:32])[cH:20][c:21]([C:39]([c:38]2[c:37]([F:42])[cH:36][cH:35][c:34]([Br:33])[cH:41]2)=[O:40])[c:22]1[O:23][CH2:24][O:25][CH3:26]

Participants

12

Reactant 11

HCID 223AmmoniumHCID 312ChlorideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 9559TetrapropylammoniumHCID 130352,2,6,6-TetramethylpiperidineHCID 82029Methyl morpholine oxideHCID 7363275-Bromo-2-fluorobenzaldehydeHCID 574756602-Fluoro-3-(methoxymethoxy)-6-(neopentyloxy)pyridineHCID 178418339ButyllithiumHCID 178527104HCID 178527104, compound

Product 1

HCID 67383169(5-Bromo-2-fluorophenyl)(2-fluoro-3-(methoxymethoxy)-6-(neopentyloxy)pyridin-4-yl)methanone

Sources & evidence

ORD record
ord-ece450a6e39347559385efc566b5a0fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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