Acetic Acid → HCID 24989849, compound

HRID 2338474Notes

Reaction equation

HRID 2338474 reaction equation
[C:31]([BH3-:32])#[N:33].[CH2:29]=[O:30].[CH3:35][C:36](=[O:37])[OH:38].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[n:12][n:13][n:14](-[c:16]3[cH:17][cH:18][c:19]([N:22]4[C:23](=[O:28])[CH2:24][NH:25][CH2:26][CH2:27]4)[cH:20][cH:21]3)[cH:15]2)[s:6]1.[Na+:34]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[n:12][n:13][n:14](-[c:16]3[cH:17][cH:18][c:19]([N:22]4[C:23](=[O:28])[CH2:24][N:25]([CH3:31])[CH2:26][CH2:27]4)[cH:20][cH:21]3)[cH:15]2)[s:6]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 712FormaldehydeHCID 923Sodium ionHCID 498716Cyano-borohydrideHCID 24989848HCID 24989848, compound

Product 1

HCID 24989849HCID 24989849, compound

Sources & evidence

ORD record
ord-fec9518d04ba4ff0958f6ffcd72fadf3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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