Diisopropylamine → 2-(Methylthio)-4-[(3-nitrophenyl)ethynyl]pyrimidine

HRID 1134369Notes

Reaction equation

HRID 1134369 reaction equation
[C:17](#[CH:18])[c:19]1[cH:20][c:21]([N+:25](=[O:26])[O-:27])[cH:22][cH:23][cH:24]1.[CH2:28]1[O:29][CH2:30][CH2:31][CH2:32]1.[CH:10]([NH:11][CH:12]([CH3:13])[CH3:14])([CH3:15])[CH3:16].[Cu:33][I:34].[I:1][c:2]1[n:3][c:4]([S:8][CH3:9])[n:5][cH:6][cH:7]1>>[c:2]1([C:18]#[C:17][c:19]2[cH:20][c:21]([N+:25](=[O:26])[O-:27])[cH:22][cH:23][cH:24]2)[n:3][c:4]([S:8][CH3:9])[n:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 7912DiisopropylamineHCID 8028TetrahydrofuranHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 76432Benzene, 1-ethynyl-3-nitro-HCID 38589014-Iodo-2-(methylthio)pyrimidine

Product 1

HCID 595114132-(Methylthio)-4-[(3-nitrophenyl)ethynyl]pyrimidine

Sources & evidence

ORD record
ord-468c331afcdc4f98a659911b73268147
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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