Acetic Acid → 4-{4-[(1-cyclobutylazetidin-3-yl)methoxy]phenyl}tetrahydro-2H-pyran-4-carbonitrile

HRID 2161691Notes

Reaction equation

HRID 2161691 reaction equation
[C:21]1(=[O:25])[CH2:22][CH2:23][CH2:24]1.[C:30]([O:31][BH-:32]([O:33][C:34](=[O:35])[CH3:36])[O:37][C:38](=[O:39])[CH3:40])(=[O:41])[CH3:42].[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:26][C:27](=[O:28])[OH:29].[NH:1]1[CH2:2][CH:3]([CH2:5][O:6][c:7]2[cH:8][cH:9][c:10]([C:13]3([C:19]#[N:20])[CH2:14][CH2:15][O:16][CH2:17][CH2:18]3)[cH:11][cH:12]2)[CH2:4]1.[Na+:43].[Na+:49].[Na+:50].[O-:51][C:52](=[O:53])[O-:54]>>[N:1]1([CH:21]2[CH2:22][CH2:23][CH2:24]2)[CH2:2][CH:3]([CH2:5][O:6][c:7]2[cH:8][cH:9][c:10]([C:13]3([C:19]#[N:20])[CH2:14][CH2:15][O:16][CH2:17][CH2:18]3)[cH:11][cH:12]2)[CH2:4]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ion3×HCID 8028TetrahydrofuranHCID 14496CyclobutanoneHCID 19660Carbonate IonHCID 2724942TriacetoxyborohydrideHCID 68576445HCID 68576445, compound

Product 1

HCID 598374294-{4-[(1-cyclobutylazetidin-3-yl)methoxy]phenyl}tetrahydro-2H-pyran-4-carbonitrile

Sources & evidence

ORD record
ord-de4933441f4e4e4782cb1d5d291114b0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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