Acetic Acid → HCID 13314919, compound

HRID 2335358Notes

Reaction equation

HRID 2335358 reaction equation
[CH2:23]1[O:24][CH2:25][CH2:26][CH2:27]1.[CH2:31]=[O:32].[CH3:1][O:2][C:3]1=[CH:4][C:5]2=[CH:6][CH2:7][CH:8]3[CH:9]4[CH2:10][CH2:11][C:12](=[O:22])[C:13]4([CH3:14])[CH2:15][CH2:16][CH:17]3[C:18]2([CH3:21])[CH2:19][CH2:20]1.[CH3:28][O-:29].[CH3:33][CH2:34][O:35][C:36](=[O:37])[CH3:38].[CH3:40][OH:41].[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:49][C:50](=[O:51])[OH:52].[Na+:30].[OH2:39]>>[CH3:1][O:2][C:3]1=[CH:4][C:5]2=[CH:6][CH2:7][CH:8]3[CH:9]4[CH2:10][C:11](=[CH2:23])[C:12](=[O:22])[C:13]4([CH3:14])[CH2:15][CH2:16][CH:17]3[C:18]2([CH3:21])[CH2:19][CH2:20]1

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 712FormaldehydeHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 3722941HCID 3722941, compoundHCID 3826051Methoxide

Product 1

HCID 13314919HCID 13314919, compound

Sources & evidence

ORD record
ord-d7d0423acf644abaabb63adafdd0ea88
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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