Acetic Acid → 4-tert-Butyl-2-chloropyrimidine

HRID 1221520Notes

Reaction equation

HRID 1221520 reaction equation
[C:8]([CH3:9])([CH3:10])([CH3:11])[Li:12].[CH2:33]1[O:34][CH2:35][CH2:36][CH2:37]1.[CH3:13][C:14](=[O:15])[OH:16].[CH3:39][CH2:40][O:41][C:42]([CH3:43])=[O:44].[CH3:45][CH2:46][O:47][CH2:48][CH3:49].[Cl:17][C:18]1=[C:29]([Cl:30])[C:27](=[O:28])[C:24]([C:25]#[N:26])=[C:21]([C:22]#[N:23])[C:19]1=[O:20].[Cl:1][c:2]1[n:3][cH:4][cH:5][cH:6][n:7]1.[Na+:32].[OH-:31].[OH2:38]>>[Cl:1][c:2]1[n:3][c:4]([C:8]([CH3:9])([CH3:10])[CH3:11])[cH:5][cH:6][n:7]1

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 3283Diethyl EtherHCID 67752,3-Dichloro-5,6-dicyano-1,4-benzoquinoneHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 744042-ChloropyrimidineHCID 178418306HCID 178418306, compound

Product 1

HCID 124506254-tert-Butyl-2-chloropyrimidine

Sources & evidence

ORD record
ord-5e2a6bf8ee0b4a12bd1ffe3f8e91a6e7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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