Acetic Acid → HCID 86601176, compound

HRID 186893Notes

Reaction equation

HRID 186893 reaction equation
[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7]([N+:21]([O-:22])=[O:23])[c:8]([S:10](=[O:11])(=[O:12])[c:13]2[cH:14][n:15][c:16]([Br:20])[c:17]([Cl:19])[cH:18]2)[cH:9]1.[CH3:24][S-:25].[CH3:27][C:28](=[O:29])[OH:30].[Na+:26]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7]([S:25][CH3:24])[c:8]([S:10](=[O:11])(=[O:12])[c:13]2[cH:14][n:15][c:16]([Br:20])[c:17]([Cl:19])[cH:18]2)[cH:9]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 923Sodium ionHCID 519392MercaptomethanideHCID 86601177HCID 86601177, compound

Product 1

HCID 86601176HCID 86601176, compound

Sources & evidence

ORD record
ord-a5e4dfa5202c4782992f9fcc6b9ade35
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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