Acetic Acid → HCID 178421739, compound

HRID 1567260Notes

Reaction equation

HRID 1567260 reaction equation
[CH2:29]=[O:30].[CH2:31]1[O:32][CH2:33][CH2:34][CH2:35]1.[CH3:1][C:2]12[C:3](=[O:21])[CH2:4][CH2:5][CH:6]1[CH:7]1[CH2:8][CH2:9][C:10]3=[CH:11][C:12](=[O:20])[CH:13]=[CH:14][C:15]3([CH3:16])[C:17]1=[CH:18][CH2:19]2.[CH3:22][O-:23].[CH3:25][C:26](=[O:27])[OH:28].[CH3:36][OH:37].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[Na+:24].[OH2:38]>>[CH3:1][C:2]12[C:3](=[O:21])[C:4](=[CH2:25])[CH2:5][CH:6]1[CH:7]1[CH2:8][CH2:9][C:10]3=[CH:11][C:12](=[O:20])[CH:13]=[CH:14][C:15]3([CH3:16])[C:17]1=[CH:18][CH2:19]2

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 712FormaldehydeHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 3826051MethoxideHCID 19035759HCID 19035759, compound

Product 1

HCID 178421739HCID 178421739, compound

Sources & evidence

ORD record
ord-37b83a7934a44512a4eccbd739f4e4e8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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