Hydrochloric Acid → 2-Ethynyl-6-methylpyridine

HRID 2123635Notes

Reaction equation

HRID 2123635 reaction equation
[Br:1][c:2]1[n:3][c:4]([CH3:8])[cH:5][cH:6][cH:7]1.[CH3:18][CH2:19][N:20]([CH2:21][CH3:22])[CH2:23][CH3:24].[CH3:25][OH:26].[CH3:9][Si:10]([CH3:11])([CH3:12])[C:13]#[CH:14].[ClH:17].[Cu:27][I:28].[Na+:16].[OH-:15].[Pd:29]([Cl:30])[Cl:31].[c:32]1([P:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:46][cH:47][cH:48][cH:49][cH:50]1.[c:51]1([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[cH:65][cH:66][cH:67][cH:68][cH:69]1>>[c:2]1([C:13]#[CH:14])[n:3][c:4]([CH3:8])[cH:5][cH:6][cH:7]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 8471TriethylamineHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 66111TrimethylsilylacetyleneHCID 792052-Bromo-6-methylpyridine

Product 1

HCID 134006352-Ethynyl-6-methylpyridine

Sources & evidence

ORD record
ord-d5786476103d4525921605aca53a30e2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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