Acetone → HCID 178447571, compound

HRID 1220432Notes

Reaction equation

HRID 1220432 reaction equation
[CH2:1]([CH3:2])[CH:3]1[CH:4]([O:22][C:23]([CH2:24][Br:25])=[O:26])[C:5]2([CH3:6])[CH:7]([CH2:8]1)[CH:9]1[CH2:10][CH2:11][C:12]3=[CH:13][C:14](=[O:21])[CH2:15][CH2:16][CH:17]3[CH:18]1[CH2:19][CH2:20]2.[CH3:27][CH2:28][O:29][C:30](=[O:31])[CH3:32].[CH3:33][CH2:34][CH:35]([CH3:36])[C:37]([OH:38])=[O:39].[CH3:40][C:41](=[O:42])[CH3:43].[OH2:44]>>[CH2:1]([CH3:2])[CH:3]1[CH:4]([O:22][C:23]([CH2:24][O:39][C:37]([CH:35]([CH2:34][CH3:33])[CH3:36])=[O:38])=[O:26])[C:5]2([CH3:6])[CH:7]([CH2:8]1)[CH:9]1[CH2:10][CH2:11][C:12]3=[CH:13][C:14](=[O:21])[CH2:15][CH2:16][CH:17]3[CH:18]1[CH2:19][CH2:20]2

Participants

6

Reactant 5

HCID 180AcetoneHCID 962WaterHCID 83142-Methylbutanoic AcidHCID 8857Ethyl AcetateHCID 178435315HCID 178435315, compound

Product 1

HCID 178447571HCID 178447571, compound

Sources & evidence

ORD record
ord-94694ab1be204cbe909cbb23a9455ced
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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