Acetic Acid → HCID 22609586, compound

HRID 1115187Notes

Reaction equation

HRID 1115187 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]2[CH2:10][NH:11][CH2:12][CH:13]2[N:14]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:15][CH2:16]1.[C:26]([BH3-:27])#[N:28].[CH2:24]=[O:25].[CH3:30][C:31](=[O:32])[OH:33].[CH3:34][C:35]#[N:36].[Na+:29]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]2[CH2:10][N:11]([CH3:26])[CH2:12][CH:13]2[N:14]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:15][CH2:16]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 712FormaldehydeHCID 923Sodium ionHCID 6342AcetonitrileHCID 498716Cyano-borohydrideHCID 22609470HCID 22609470, compound

Product 1

HCID 22609586HCID 22609586, compound

Sources & evidence

ORD record
ord-9e28119fee44429caa67e7f85fa37ed1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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