Acetaldehyde → 2-Butenedioic acid

HRID 699687Notes

Reaction equation

HRID 699687 reaction equation
[C:19]([BH3-:20])#[N:21].[C:26]([CH:27]=[CH:28][C:29](=[O:30])[O-:31])(=[O:32])[O-:33].[CH3:34][OH:35].[CH3:36][C:37](=[O:38])[CH3:39].[CH:23]([CH3:24])=[O:25].[ClH:1].[NH:2]1[CH2:3][CH2:4][C:5]23[CH2:6][CH2:7][c:8]4[c:9]([cH:15][cH:16][cH:17][cH:18]4)[C:10]12[CH2:11][CH2:12][CH2:13][CH2:14]3.[Na+:22]>>[C:26]([CH:27]=[CH:28][C:29](=[O:30])[OH:31])(=[O:32])[OH:33].[N:2]1([CH2:23][CH3:24])[CH2:3][CH2:4][C:5]23[CH2:6][CH2:7][c:8]4[c:9]([cH:15][cH:16][cH:17][cH:18]4)[C:10]12[CH2:11][CH2:12][CH2:13][CH2:14]3

Participants

10

Reactant 8

HCID 177AcetaldehydeHCID 180AcetoneHCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 164547ButenedioateHCID 498716Cyano-borohydrideHCID 9794556HCID 9794556, compound

Product 2

HCID 7232-Butenedioic acidHCID 67946008HCID 67946008, compound

Sources & evidence

ORD record
ord-bd6413ca46d1431db232899fca52eb3b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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