Acetic Acid → HCID 54275207, compound

HRID 688868Notes

Reaction equation

HRID 688868 reaction equation
[C:23](=[O:24])([O:25][CH3:26])[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][c:33]1[c:34]([CH:35]=[O:36])[cH:37][cH:38][cH:39][cH:40]1.[CH2:3]([CH2:4][O:5][CH3:6])[O:7][CH3:8].[CH3:41][C:42](=[O:43])[OH:44].[CH3:9][O:10][P:11](=[O:12])([O:13][CH3:14])[CH2:15][C:16]([CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])=[O:22].[H-:1].[Na+:2]>>[CH:15]([C:16]([CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])=[O:22])=[CH:35][c:34]1[c:33]([CH2:32][CH2:31][CH2:30][CH2:29][CH2:28][CH2:27][C:23](=[O:24])[O:25][CH3:26])[cH:40][cH:39][cH:38][cH:37]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 80711,2-DimethoxyethaneHCID 166653HydrideHCID 580181Dimethyl (2-oxoheptyl)phosphonateHCID 21427641HCID 21427641, compound

Product 1

HCID 54275207HCID 54275207, compound

Sources & evidence

ORD record
ord-addc1d5de5594b8cbc52b54ef257d644
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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