Acetic Acid → HCID 12439129, compound

HRID 680990Notes

Reaction equation

HRID 680990 reaction equation
[CH3:24][C:25]([OH:26])=[O:27].[OH2:28].[S:19](=[O:20])(=[O:21])([OH:22])[OH:23].[s:1]1[c:2]([C:6](=[O:7])[c:8]2[c:9]3[c:13]([cH:14][cH:15][cH:16]2)[CH:12]([C:17]#[N:18])[CH2:11][CH2:10]3)[cH:3][cH:4][cH:5]1>>[s:1]1[c:2]([C:6](=[O:7])[c:8]2[c:9]3[c:13]([cH:14][cH:15][cH:16]2)[CH:24]([C:25]([OH:26])=[O:27])[CH2:11][CH2:10]3)[cH:3][cH:4][cH:5]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 1118Sulfuric AcidHCID 12439126HCID 12439126, compound

Product 1

HCID 12439129HCID 12439129, compound

Sources & evidence

ORD record
ord-1f94ea0e1cbe4ccf9f3929b1a9a7ed21
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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