Ammonium → 3-Hydroxy-3-(2-bromopyridin-5-yl)-1-azabicyclo[2.2.2]octane

HRID 1215587Notes

Reaction equation

HRID 1215587 reaction equation
[Br:1][c:2]1[n:3][cH:4][c:5]([Br:8])[cH:6][cH:7]1.[CH2:54]([O:55][CH2:56][CH3:57])[CH3:58].[CH3:48][CH2:49][CH2:50][CH2:51][CH2:52][CH3:53].[Cl-:23].[Li:9][CH2:10][CH2:11][CH2:12][CH3:13].[N:14]12[CH2:15][C:16](=[O:22])[CH:17]([CH2:18][CH2:19]1)[CH2:20][CH2:21]2.[NH4+:24].[Na+:26].[OH-:25].[OH:27][C:28]1([c:29]2[cH:30][cH:31][c:32](-[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[n:39][cH:40]2)[CH:41]2[CH2:42][CH2:43][N:44]([CH2:45][CH2:46]2)[CH2:47]1>>[Br:1][c:2]1[n:3][cH:4][c:5]([C:16]2([OH:22])[CH2:15][N:14]3[CH2:19][CH2:18][CH:17]2[CH2:20][CH2:21]3)[cH:6][cH:7]1

Participants

11

Reactant 10

HCID 223AmmoniumHCID 312ChlorideHCID 923Sodium ionHCID 961HydroxideHCID 3283Diethyl EtherHCID 8058HexaneHCID 195073-QuinuclidinoneHCID 693532,5-DibromopyridineHCID 98605081-Azabicyclo[2.2.2]octan-3-ol, 3-(6-phenyl-3-pyridinyl)-HCID 178418339Butyllithium

Product 1

HCID 211032473-Hydroxy-3-(2-bromopyridin-5-yl)-1-azabicyclo[2.2.2]octane

Sources & evidence

ORD record
ord-aaa809a72695474299987c0518910663
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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