Acetic Acid → HCID 67277826, compound

HRID 154831Notes

Reaction equation

HRID 154831 reaction equation
[C:27]([BH3-:28])#[N:29].[CH2:34]=[O:35].[CH3:23][C:24](=[O:25])[OH:26].[CH3:31][C:32]#[N:33].[Na+:30].[OH2:22].[c:1]1([S:7](=[O:8])(=[O:9])[N:10]2[CH2:11][CH:12]([CH2:19][O:20][CH3:21])[NH:13][CH:14]([CH2:16][O:17][CH3:18])[CH2:15]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[N:10]2[CH2:11][CH:12]([CH2:19][O:20][CH3:21])[N:13]([CH3:23])[CH:14]([CH2:16][O:17][CH3:18])[CH2:15]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 712FormaldehydeHCID 923Sodium ionHCID 962WaterHCID 6342AcetonitrileHCID 498716Cyano-borohydrideHCID 67212627HCID 67212627, compound

Product 1

HCID 67277826HCID 67277826, compound

Sources & evidence

ORD record
ord-5d04747656a24fa992dcbdd110916444
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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