Acetone → Ethyl 3-cyclopropyl-2-oxopropanoate

HRID 1119189Notes

Reaction equation

HRID 1119189 reaction equation
[Br:16][N:17]1[C:18](=[O:20])[CH2:21][CH2:22][C:23]1=[O:19].[CH2:30]([Cl:31])[Cl:32].[CH3:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29].[CH3:40][C:41]([CH3:42])=[O:43].[CH:1]1([CH2:4][C:5]2([C:11](=[O:12])[O:13][CH2:14][CH3:15])[S:6][CH2:7][CH2:8][CH2:9][S:10]2)[CH2:2][CH2:3]1.[Na+:37].[Na+:38].[OH2:39].[S:33]([O-:34])([O-:35])=[O:36]>>[CH:1]1([CH2:4][C:5]([C:11](=[O:12])[O:13][CH2:14][CH3:15])=[O:19])[CH2:2][CH2:3]1

Participants

9

Reactant 8

HCID 180AcetoneHCID 923Sodium ion2×HCID 962WaterHCID 1099SulfiteHCID 6344DichloromethaneHCID 8058HexaneHCID 67184N-bromobutanimideHCID 22285400Ethyl 2-(cyclopropylmethyl)-1,3-dithiane-2-carboxylate

Product 1

HCID 22285629Ethyl 3-cyclopropyl-2-oxopropanoate

Sources & evidence

ORD record
ord-07e5af68181d4a49bc9ab6958e39d3cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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