Bicarbonate Ion → 3-(3,5-Dinitro-4-thiocyanato-phenyl)-pyridine

HRID 1551214Notes

Reaction equation

HRID 1551214 reaction equation
[C:28](=[O:29])([O-:30])[OH:31].[Cu:39][S:40][C:41]#[N:42].[K+:24].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([NH2:6])[c:7]([N+:17](=[O:18])[O-:19])[cH:8][c:9](-[c:11]2[cH:12][n:13][cH:14][cH:15][cH:16]2)[cH:10]1.[N:20]([O-:21])=[O:22].[Na+:23].[Na+:32].[OH2:38].[S-:25][C:26]#[N:27].[S:33](=[O:34])(=[O:35])([OH:36])[OH:37]>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([S:25][C:26]#[N:27])[c:7]([N+:17](=[O:18])[O-:19])[cH:8][c:9](-[c:11]2[cH:12][n:13][cH:14][cH:15][cH:16]2)[cH:10]1

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 813Potassium CationHCID 923Sodium ion2×HCID 946NitriteHCID 962WaterHCID 1118Sulfuric AcidHCID 9322ThiocyanateHCID 578137352,6-Dinitro-4-pyridin-3-yl-anilineHCID 178514150Cuprous thiocyanate

Product 1

HCID 578136843-(3,5-Dinitro-4-thiocyanato-phenyl)-pyridine

Sources & evidence

ORD record
ord-e50f9f3ec88a433eaca2733effc144aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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