Acetic Acid → HCID 20332939, compound

HRID 1129489Notes

Reaction equation

HRID 1129489 reaction equation
[C:27]([BH3-:28])#[N:29].[CH3:32][C:33]#[N:34].[CH3:35][C:36](=[O:37])[OH:38].[CH:1]([CH3:2])([CH3:3])[NH:4][CH:5]([CH2:6][C:7]1=[C:13]([c:14]2[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]2)[CH2:12][CH2:11][CH2:10][NH:9][C:8]1=[O:22])[CH3:23].[CH:24]([CH3:25])=[O:26].[ClH:31].[Na+:30]>>[CH:1]([CH3:2])([CH3:3])[N:4]([CH:5]([CH2:6][C:7]1=[C:13]([c:14]2[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]2)[CH2:12][CH2:11][CH2:10][NH:9][C:8]1=[O:22])[CH3:23])[CH2:24][CH3:25]

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 177AcetaldehydeHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 6342AcetonitrileHCID 498716Cyano-borohydrideHCID 20332938HCID 20332938, compound

Product 1

HCID 20332939HCID 20332939, compound

Sources & evidence

ORD record
ord-22f0a982e72d48c5b43db45074d9b21c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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