Acetic Acid → HCID 19969455, compound

HRID 166347Notes

Reaction equation

HRID 166347 reaction equation
[CH3:28][C:29](=[O:30])[OH:31].[NH2:1][c:2]1[c:3]([S:8][c:9]2[c:10]([C:11]#[N:12])[cH:13][cH:14][c:15]([C:17]([F:18])([F:19])[F:20])[cH:16]2)[cH:4][cH:5][cH:6][cH:7]1.[Na+:27].[OH-:26].[OH2:32].[S:21]([OH:22])(=[O:23])(=[O:24])[OH:25]>>[c:2]12[c:3]([cH:4][cH:5][cH:6][cH:7]1)[S:8][c:9]1[c:10]([cH:13][cH:14][c:15]([C:17]([F:18])([F:19])[F:20])[cH:16]1)[C:11](=[O:22])[NH:12]2

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 1118Sulfuric AcidHCID 19969451HCID 19969451, compound

Product 1

HCID 19969455HCID 19969455, compound

Sources & evidence

ORD record
ord-7b4edffeb6cf431a81b2db5f4ea0017f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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