Acetic Acid → HCID 13094356, compound

HRID 200836Notes

Reaction equation

HRID 200836 reaction equation
[CH3:35][C:36](=[O:37])[OH:38].[Cl-:31].[ClH:1].[N:21]([O-:22])=[O:23].[NH2:2][c:3]1[cH:4][cH:5][c:6]2[c:15]3[n:10]([cH:11][c:12]([C:17](=[O:18])[OH:19])[c:13](=[O:16])[c:14]13)[CH:9]([CH3:20])[CH2:8][CH2:7]2.[Na+:24].[Na+:25].[Na+:26].[Na:32][C:33]#[N:34].[O-:27][C:28](=[O:29])[O-:30].[OH2:39]>>[c:3]1([C:33]#[N:34])[cH:4][cH:5][c:6]2[c:15]3[n:10]([cH:11][c:12]([C:17](=[O:18])[OH:19])[c:13](=[O:16])[c:14]13)[CH:9]([CH3:20])[CH2:8][CH2:7]2

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 312ChlorideHCID 313Hydrochloric AcidHCID 923Sodium ion3×HCID 946NitriteHCID 962WaterHCID 19660Carbonate IonHCID 13094348HCID 13094348, compoundHCID 178511850HCID 178511850, compound

Product 1

HCID 13094356HCID 13094356, compound

Sources & evidence

ORD record
ord-c95b586395c54015bf2f23de9983d56e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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