Toluene → (+/-)-2,4-Dichloro-5-(1-chloroethyl)-pyrimidine

HRID 1226514Notes

Reaction equation

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

Participants

Reactant 4

HCID 1140Toluene

HCID 24813Phosphorus oxychloride

HCID 81531Diisopropylethylamine

HCID 151416481-(2,4-Dichloropyrimidin-5-yl)ethan-1-ol

Product 1

HCID 21908976(+/-)-2,4-Dichloro-5-(1-chloroethyl)-pyrimidine

Sources & evidence

ORD record: ord-b301687efd8e4fe4996c5fda8367f627
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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