Acetone → HCID 178423556, compound

HRID 123007Notes

Reaction equation

HRID 123007 reaction equation
[C:40]([OH:41])([CH3:42])([CH3:43])[CH3:44].[CH3:1][CH:2]1[CH:3]2[CH:4]([CH2:5][CH:6]3[CH:7]4[CH2:8][CH2:9][CH:10]5[CH2:11][CH:12]([OH:22])[CH2:13][CH2:14][C:15]5([CH3:16])[CH:17]4[CH:18]=[CH:19][C:20]23[CH3:21])[O:23][C:24]12[CH2:25][CH2:26][CH:27]([CH3:28])[CH2:29][O:30]2.[CH3:31][N+:32]1([O-:33])[CH2:34][CH2:36][O:35][CH2:37][CH2:38]1.[CH3:45][C:46](=[O:47])[CH3:48].[OH2:39]>>[CH3:1][CH:2]1[CH:3]2[CH:4]([CH2:5][CH:6]3[CH:7]4[CH2:8][CH2:9][CH:10]5[CH2:11][CH:12]([OH:22])[CH2:13][CH2:14][C:15]5([CH3:16])[CH:17]4[CH:18]([OH:35])[CH:19]([OH:39])[C:20]23[CH3:21])[O:23][C:24]12[CH2:25][CH2:26][CH:27]([CH3:28])[CH2:29][O:30]2

Participants

6

Reactant 5

HCID 180AcetoneHCID 962WaterHCID 6386tert-ButanolHCID 82029Methyl morpholine oxideHCID 178423555HCID 178423555, compound

Product 1

HCID 178423556HCID 178423556, compound

Sources & evidence

ORD record
ord-b93626d724f945f5ac326aaa37c57ff4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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