Acetic Acid → HCID 54091691, compound

HRID 2344548Notes

Reaction equation

HRID 2344548 reaction equation
[BH4-:29].[C:1]([CH3:2])(=[O:3])[O:4][c:5]1[cH:6][cH:7][c:8]([CH:9]=[CH:10][C:11](=[O:12])[OH:13])[cH:14][cH:15]1.[CH3:16][CH2:17][N:18]([CH2:19][CH3:20])[CH2:21][CH3:22].[CH3:37][N:38]([CH3:39])[CH:40]=[O:41].[CH3:42][C:43](=[O:44])[OH:45].[CH3:46][C:47](=[O:48])[CH3:49].[Cl:23][C:24]([O:25][CH2:26][CH3:27])=[O:28].[Na+:30].[O:31]1[CH2:32][CH2:33][O:34][CH2:35][CH2:36]1>>[C:1]([CH3:2])(=[O:3])[O:4][c:5]1[cH:6][cH:7][c:8]([CH:9]=[CH:10][CH2:11][OH:12])[cH:14][cH:15]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 180AcetoneHCID 923Sodium ionHCID 6228DimethylformamideHCID 8471TriethylamineHCID 10928Ethyl chloroformateHCID 28123BorohydrideHCID 312751,4-DioxaneHCID 85857Cinnamic acid, p-hydroxy-, acetate

Product 1

HCID 54091691HCID 54091691, compound

Sources & evidence

ORD record
ord-5624289a62364951861c29fde4529c79
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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