Acetic Acid → HCID 21562651, compound

HRID 1148048Notes

Reaction equation

HRID 1148048 reaction equation
[C:1]([OH:2])(=[O:3])[CH3:4].[CH3:29][CH2:30][OH:31].[Cl:5][c:6]1[cH:7][cH:8][c:9]2[c:10]([cH:28]1)[C:11]([c:21]1[c:22]([Cl:27])[cH:23][cH:24][cH:25][cH:26]1)=[N:12][CH:13]([OH:20])[c:14]1[n:15]-2[c:16]([CH3:19])[cH:17][n:18]1.[Na+:33].[OH-:32].[OH2:34]>>[Cl:5][c:6]1[cH:7][cH:8][c:9]2[c:10]([cH:28]1)[C:11]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)=[N:12][CH:13]([OH:20])[c:14]1[n:15]-2[c:16]([CH3:19])[cH:17][n:18]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 21562481HCID 21562481, compound

Product 1

HCID 21562651HCID 21562651, compound

Sources & evidence

ORD record
ord-c49142724e054ddabbec7c21bff82dce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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