Bicarbonate Ion → 3,4-Bistrifluoromethylbenzonitrile

HRID 147253

Reaction equation

HRID 147253 reaction equation
[C:31](=[O:32])([O-:33])[OH:34].[Cu:28][C:29]#[N:30].[F:1][C:2]([c:3]1[cH:4][c:5]([NH2:6])[cH:7][cH:8][c:9]1[C:10]([F:11])([F:12])[F:13])([F:14])[F:15].[N:21]([O-:22])=[O:23].[Na+:24].[Na+:35].[Na:25][C:26]#[N:27].[Ni+2:37].[O-:38][S:39](=[O:40])(=[O:41])[O-:42].[OH2:36].[S:16](=[O:17])(=[O:18])([OH:19])[OH:20]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:26]#[N:27])[cH:7][cH:8][c:9]1[C:10]([F:11])([F:12])[F:13])([F:14])[F:15]

Participants

11

Reactant 10

HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 934Nickel cationHCID 946NitriteHCID 962WaterHCID 1117Sulfate IonHCID 1118Sulfuric AcidHCID 15485793,4-Bis(trifluoromethyl)anilineHCID 178418546HCID 178418546, compoundHCID 178511850HCID 178511850, compound

Product 1

HCID 147932713,4-Bistrifluoromethylbenzonitrile

Sources & evidence

ORD record
ord-f6a48cbea04b41809928577d686ed1f9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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