Acetic Acid → HCID 23318045, compound

HRID 1137269Notes

Reaction equation

HRID 1137269 reaction equation
[C:34]([BH3-:35])#[N:36].[CH3:30][C:31](=[O:32])[OH:33].[CH3:38][OH:39].[NH2:1][CH:2]1[C:3](=[O:14])[N:4]([CH:9]([CH3:10])[C:11](=[O:12])[OH:13])[CH2:5][CH2:6][S:7][CH2:8]1.[Na+:37].[O:15]=[C:16]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[CH2:22][CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[NH:1]([CH:2]1[C:3](=[O:14])[N:4]([CH:9]([CH3:10])[C:11](=[O:12])[OH:13])[CH2:5][CH2:6][S:7][CH2:8]1)[CH:16]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[CH2:22][CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 498716Cyano-borohydrideHCID 562087Ethyl alpha-oxobenzenebutanoateHCID 23318049HCID 23318049, compound

Product 1

HCID 23318045HCID 23318045, compound

Sources & evidence

ORD record
ord-eb1312bc802941a1808b76710b4de579
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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