Acetone → HCID 20745957, compound

HRID 182596Notes

Reaction equation

HRID 182596 reaction equation
[C:36]([OH:37])([CH3:38])([CH3:39])[CH3:40].[CH3:28][N+:29]1([O-:35])[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1.[CH3:41][C:42](=[O:43])[CH3:44].[F:1][c:2]1[cH:3][c:4]([N:12]2[C:13](=[O:26])[O:14][CH:15]([CH2:17][NH:18][C:19]([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[CH2:16]2)[cH:5][cH:6][c:7]1[CH:8]1[CH2:9][S:10][CH2:11]1.[OH2:27]>>[F:1][c:2]1[cH:3][c:4]([N:12]2[C:13](=[O:26])[O:14][CH:15]([CH2:17][NH:18][C:19]([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[CH2:16]2)[cH:5][cH:6][c:7]1[N:29]1[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 962WaterHCID 6386tert-ButanolHCID 82029Methyl morpholine oxideHCID 20745959HCID 20745959, compound

Product 1

HCID 20745957HCID 20745957, compound

Sources & evidence

ORD record
ord-fa4e0bd744b74fb7aea04f186d091491
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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