Acetone → HCID 178456169, compound

HRID 2334787Notes

Reaction equation

HRID 2334787 reaction equation
[C:27]([BH3-:28])#[N:29].[CH3:23][C:24]([CH3:25])=[O:26].[CH3:31][OH:32].[N:1]1([c:9]2[cH:10][cH:11][c:12](-[c:15]3[cH:16][cH:17][c:18]([C:21]#[N:22])[cH:19][cH:20]3)[cH:13][cH:14]2)[CH:2]2[CH:3]([CH2:4][CH2:5]1)[CH2:6][NH:7][CH2:8]2.[Na+:30].[Na+:34].[OH-:33]>>[N:1]1([c:9]2[cH:10][cH:11][c:12](-[c:15]3[cH:16][cH:17][c:18]([C:21]#[N:22])[cH:19][cH:20]3)[cH:13][cH:14]2)[CH:2]2[CH:3]([CH2:4][CH2:5]1)[CH2:6][N:7]([CH:24]([CH3:23])[CH3:25])[CH2:8]2

Participants

7

Reactant 6

HCID 180AcetoneHCID 887MethanolHCID 923Sodium ion2×HCID 961HydroxideHCID 498716Cyano-borohydrideHCID 566604174-[4-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)phenyl]benzonitrile

Product 1

HCID 178456169HCID 178456169, compound

Sources & evidence

ORD record
ord-2aac59e8e6ca431eaf2467679393b5fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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