Acetic Acid → HCID 22467612, compound

HRID 148651Notes

Reaction equation

HRID 148651 reaction equation
[C:32]([BH3-:33])#[N:34].[CH2:30]=[O:31].[CH3:36][C:37](=[O:38])[OH:39].[CH3:40][OH:41].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([NH:23][CH:24]2[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]2)[c:8]([C:9](=[O:10])[NH:11][CH2:12][c:13]2[cH:14][c:15]3[c:16]([cH:20][cH:21]2)[O:17][CH2:18][O:19]3)[cH:22]1.[Na+:35]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([NH:23][CH:24]2[CH2:25][CH2:26][N:27]([CH3:32])[CH2:28][CH2:29]2)[c:8]([C:9](=[O:10])[NH:11][CH2:12][c:13]2[cH:14][c:15]3[c:16]([cH:20][cH:21]2)[O:17][CH2:18][O:19]3)[cH:22]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 712FormaldehydeHCID 887MethanolHCID 923Sodium ionHCID 498716Cyano-borohydrideHCID 22467525HCID 22467525, compound

Product 1

HCID 22467612HCID 22467612, compound

Sources & evidence

ORD record
ord-df18f3627d424f43b850ae8ace4cfd8c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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