Chloride → 1-Chloro-3-(oxan-2-yloxy)butan-2-one

HRID 1144054Notes

Reaction equation

HRID 1144054 reaction equation
[C:28]([Mg+:29])([CH3:30])([CH3:31])[CH3:32].[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[Cl-:27].[Cl:14][CH2:15][C:16]([O-:17])=[O:18].[ClH:33].[Na+:19].[O:1]1[CH:2]([O:7][CH:8]([C:9]([O:11][CH3:10])=[O:12])[CH3:13])[CH2:3][CH2:4][CH2:5][CH2:6]1.[OH2:40]>>[O:1]1[CH:2]([O:7][CH:8]([C:9](=[O:11])[CH2:15][Cl:14])[CH3:13])[CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

11

Reactant 10

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 518964ChloroacetateHCID 13874081Methyl 2-tetrahydropyranyloxypropionateHCID 178448412HCID 178448412, compound

Product 1

HCID 231170561-Chloro-3-(oxan-2-yloxy)butan-2-one

Sources & evidence

ORD record
ord-154489f7217042138672f18e7d5b6e8b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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