Acetonitrile → 4-(5-Bromo-2-chloro-pyrimidin-4-ylsulfanyl)-butan-1-ol

Reaction equation

[Br:1][c:2]1[c:3]([Cl:9])[n:4][c:5]([Cl:8])[n:6][cH:7]1.[CH3:10][CH2:11][N:12]([CH2:13][CH3:14])[CH2:15][CH3:16].[CH3:23][C:24]#[N:25].[SH:17][CH2:18][CH2:19][CH2:20][CH2:21][OH:22]>>[Br:1][c:2]1[c:3]([S:17][CH2:18][CH2:19][CH2:20][CH2:21][OH:22])[n:4][c:5]([Cl:8])[n:6][cH:7]1

Participants

Reactant 4

HCID 6342Acetonitrile

HCID 8471Triethylamine

HCID 2899735-Bromo-2,4-dichloropyrimidine

HCID 5482614-Sulfanylbutan-1-ol

Product 1

HCID 589818994-(5-Bromo-2-chloro-pyrimidin-4-ylsulfanyl)-butan-1-ol

Sources & evidence

ORD record: ord-eba3ec9ad68b4d69b289a6e3ff90a5f1
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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