Acetic Acid → HCID 15407396, compound

HRID 162062Notes

Reaction equation

HRID 162062 reaction equation
[CH3:29][C:30](=[O:31])[OH:32].[CH3:33][CH2:34][OH:35].[Cl:1][c:2]1[c:3]([C:21](=[O:22])[O:23][CH2:24][CH3:25])[cH:4][n:5][n:6]1-[c:7]1[cH:8][c:9]([C:19]#[N:20])[c:10]([O:13][CH2:14][C:15]([CH3:16])([CH3:17])[CH3:18])[cH:11][cH:12]1.[Na+:27].[OH-:26].[OH2:28]>>[Cl:1][c:2]1[c:3]([C:21](=[O:22])[OH:23])[cH:4][n:5][n:6]1-[c:7]1[cH:8][c:9]([C:19]#[N:20])[c:10]([O:13][CH2:14][C:15]([CH3:16])([CH3:17])[CH3:18])[cH:11][cH:12]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 19366016HCID 19366016, compound

Product 1

HCID 15407396HCID 15407396, compound

Sources & evidence

ORD record
ord-a7f8414ac3f148db895227ad1ef9e374
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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