Acetate → HCID 178468353, compound

HRID 1209091Notes

Reaction equation

HRID 1209091 reaction equation
[C:38](=[O:39])([O-:40])[O-:41].[CH3:26][C:27]([CH2:28][C:29]([CH3:30])=[O:31])=[O:32].[CH3:34][C:35](=[O:36])[O-:37].[CH3:44][CH2:45][OH:46].[K+:33].[N:22]([O-:23])=[O:24].[Na+:25].[Na+:42].[Na+:43].[OH:18][N+:19](=[O:20])[O-:21].[P:13](=[O:14])([OH:15])([OH:16])[OH:17].[n:1]1(-[c:6]2[cH:7][cH:8][c:9]([NH2:10])[cH:11][cH:12]2)[n:2][cH:3][n:4][cH:5]1>>[n:1]1(-[c:6]2[cH:7][cH:8][c:9]([NH:10][N:22]=[C:28]([C:27]([CH3:26])=[O:32])[C:29]([CH3:30])=[O:31])[cH:11][cH:12]2)[n:2][cH:3][n:4][cH:5]1

Participants

11

Reactant 10

HCID 175AcetateHCID 702EthanolHCID 813Potassium CationHCID 923Sodium ion3×HCID 944Nitric AcidHCID 946NitriteHCID 1004Phosphoric AcidHCID 19660Carbonate IonHCID 31261AcetylacetoneHCID 7358264-(1,2,4-Triazol-1-yl)aniline

Product 1

HCID 178468353HCID 178468353, compound

Sources & evidence

ORD record
ord-ed461420d7f9481791e7b216d03b4481
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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