Acetonitrile → HCID 86597369, compound

HRID 1237060Notes

Reaction equation

HRID 1237060 reaction equation
[CH3:16][CH2:17][N:18]([CH2:19][CH3:20])[CH2:21][CH3:22].[CH3:30][C:31]#[N:32].[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]([S:9][CH:10]2[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2)[c:7]1[CH3:8].[Cl:23][C:24](=[O:25])[O:26][CH:27]([CH3:28])[CH3:29]>>[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]([S:9][CH:10]2[CH2:11][CH2:12][N:13]([C:24](=[O:25])[O:26][CH:27]([CH3:28])[CH3:29])[CH2:14][CH2:15]2)[c:7]1[CH3:8]

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 7917Isopropyl chloroformateHCID 8471TriethylamineHCID 860222804-Chloro-5-methyl-6-(piperidin-4-ylsulfanyl)-pyrimidine

Product 1

HCID 86597369HCID 86597369, compound

Sources & evidence

ORD record
ord-e33aa89bd3c04e46acd863a840e9bf3a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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