Acetic Acid → HCID 24993176, compound

HRID 105840Notes

Reaction equation

HRID 105840 reaction equation
[C:32]1(=[O:36])[CH2:33][CH2:34][CH2:35]1.[C:37]([BH3-:38])#[N:39].[CH3:28][C:29](=[O:30])[OH:31].[CH3:46][OH:47].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[NH:8]1[CH2:9][CH2:10][CH:11]([O:14][c:15]2[cH:16][cH:17][c:18]([C:21]3=[N:26][NH:25][C:24](=[O:27])[CH2:23][CH2:22]3)[cH:19][cH:20]2)[CH2:12][CH2:13]1.[Na+:40].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45]>>[N:8]1([CH:32]2[CH2:33][CH2:34][CH2:35]2)[CH2:9][CH2:10][CH:11]([O:14][c:15]2[cH:16][cH:17][c:18]([C:21]3=[N:26][NH:25][C:24](=[O:27])[CH2:23][CH2:22]3)[cH:19][cH:20]2)[CH2:12][CH2:13]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 14496CyclobutanoneHCID 498716Cyano-borohydrideHCID 67010798HCID 67010798, compound

Product 1

HCID 24993176HCID 24993176, compound

Sources & evidence

ORD record
ord-385843922a8d42b38806f5cf0699f1d6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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