Acetic Acid → HCID 58841404, compound

HRID 675387Notes

Reaction equation

HRID 675387 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[CH:9]1[CH2:10][CH2:11][O:12][c:13]2[cH:14][c:15]([C:19]#[N:20])[cH:16][cH:17][c:18]21)=[O:21].[C:32]([OH:33])(=[O:34])[CH3:35].[C:36]([CH:37]([CH:38]([C:39]([O-:40])=[O:41])[OH:42])[OH:43])([O-:44])=[O:45].[CH2:23]([Al+:24][CH2:25][CH:26]([CH3:27])[CH3:28])[CH:29]([CH3:30])[CH3:31].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[H-:22].[K+:46].[Na+:47].[OH2:55]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[CH:9]1[CH2:10][CH2:11][O:12][c:13]2[cH:14][c:15]([CH:19]=[O:34])[cH:16][cH:17][c:18]21)=[O:21]

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 813Potassium CationHCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 166653HydrideHCID 38061142,3-DihydroxybutanedioateHCID 16686348Bis(2-methylpropyl)alumanyliumHCID 68931011HCID 68931011, compound

Product 1

HCID 58841404HCID 58841404, compound

Sources & evidence

ORD record
ord-b30955cb8ac44a86b51f786bfc030115
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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