Acetic Acid → HCID 135848689, compound

HRID 2311543Notes

Reaction equation

HRID 2311543 reaction equation
[C:27](=[O:28])([O-:29])[OH:30].[CH3:32][C:33](=[O:34])[OH:35].[CH3:37][CH2:38][OH:39].[Cl:1][c:2]1[cH:3][cH:4][c:5]([OH:17])[c:6](-[c:8]2[cH:9][cH:10][cH:11][c:12]([C:14](=[O:15])[OH:16])[n:13]2)[cH:7]1.[ClH:22].[N:23]([O-:24])=[O:25].[Na+:26].[Na+:31].[OH2:36].[OH:18][N+:19]([O-:20])=[O:21]>>[Cl:1][c:2]1[cH:3][c:4]([N+:19](=[O:18])[O-:20])[c:5]([OH:17])[c:6](-[c:8]2[cH:9][cH:10][cH:11][c:12]([C:14](=[O:15])[OH:16])[n:13]2)[cH:7]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 944Nitric AcidHCID 946NitriteHCID 962WaterHCID 135848690HCID 135848690, compound

Product 1

HCID 135848689HCID 135848689, compound

Sources & evidence

ORD record
ord-4497fb005baf4562a20b7436b7570411
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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