Acetic Acid → HCID 178421756, compound

HRID 2148411Notes

Reaction equation

HRID 2148411 reaction equation
[CH2:34]=[O:35].[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[CH3:1][C:2]1=[CH:3][CH:4]2[CH:5]3[CH2:6][CH2:7][C:8](=[O:22])[C:9]3([CH3:10])[CH2:11][CH2:12][CH:13]2[C:14]2([CH3:21])[CH2:15][CH2:16][C:17](=[O:20])[CH:18]=[C:19]12.[CH3:23][O:24][C:25](=[O:26])[C:27]([O:28][CH3:29])=[O:30].[CH3:31][O-:32].[CH3:41][OH:42].[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:50][C:51](=[O:52])[OH:53].[Na+:33]>>[CH3:1][C:2]1=[CH:3][CH:4]2[CH:5]3[CH2:6][C:7](=[CH2:23])[C:8](=[O:22])[C:9]3([CH3:10])[CH2:11][CH2:12][CH:13]2[C:14]2([CH3:21])[CH2:15][CH2:16][C:17](=[O:20])[CH:18]=[C:19]12

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 712FormaldehydeHCID 887MethanolHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 11120Dimethyl oxalateHCID 3826051MethoxideHCID 18616125HCID 18616125, compound

Product 1

HCID 178421756HCID 178421756, compound

Sources & evidence

ORD record
ord-aebd5b7f5daa4eb998e4d0a4fd28d178
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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