Acetic Acid → HCID 15407395, compound

HRID 2143221Notes

Reaction equation

HRID 2143221 reaction equation
[CH3:28][C:29](=[O:30])[OH:31].[CH3:32][CH2:33][OH:34].[Cl:1][c:2]1[c:3]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[cH:4][n:5][n:6]1-[c:7]1[cH:8][c:9]([C:18]#[N:19])[c:10]([O:13][CH2:14][CH:15]([CH3:16])[CH3:17])[cH:11][cH:12]1.[Na+:26].[OH-:25].[OH2:27]>>[Cl:1][c:2]1[c:3]([C:20](=[O:21])[OH:22])[cH:4][n:5][n:6]1-[c:7]1[cH:8][c:9]([C:18]#[N:19])[c:10]([O:13][CH2:14][CH:15]([CH3:16])[CH3:17])[cH:11][cH:12]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 19366020HCID 19366020, compound

Product 1

HCID 15407395HCID 15407395, compound

Sources & evidence

ORD record
ord-7c84b0afca8a4702ad0bd13820b45806
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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