Acetone → HCID 21897115, compound

HRID 2329715Notes

Reaction equation

HRID 2329715 reaction equation
[CH3:26][C:27](=[O:28])[CH3:29].[CH3:30][C:31]#[N:32].[CH3:33][OH:34].[CH:19]1([NH2:22])[CH2:20][CH2:21]1.[Cl:1][c:2]1[n:3][c:4]([NH:9][c:10]2[cH:11][c:12]([F:18])[c:13]([O:16][CH3:17])[cH:14][cH:15]2)[n:5][c:6]([Cl:8])[n:7]1.[Na+:24].[OH-:23].[OH2:25]>>[c:2]1([NH:22][CH:19]2[CH2:20][CH2:21]2)[n:3][c:4]([NH:9][c:10]2[cH:11][c:12]([F:18])[c:13]([O:16][CH3:17])[cH:14][cH:15]2)[n:5][c:6]([Cl:8])[n:7]1

Participants

9

Reactant 8

HCID 180AcetoneHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6342AcetonitrileHCID 69828CyclopropylamineHCID 21897051HCID 21897051, compound

Product 1

HCID 21897115HCID 21897115, compound

Sources & evidence

ORD record
ord-8a7324c5af3b42e7bc6d23e6f283490f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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