Bicarbonate Ion → 1,3,5-Trichloro-2-iodobenzene

HRID 2323042Notes

Reaction equation

HRID 2323042 reaction equation
[C:29](=[O:30])([O-:31])[OH:32].[CH3:41][C:42]#[N:43].[Cl:13][c:14]1[c:15]([NH2:16])[c:17]([Cl:22])[cH:18][c:19]([Cl:21])[cH:20]1.[I-:28].[K+:27].[N:23]([O-:24])=[O:25].[Na+:26].[Na+:33].[Na+:39].[Na+:40].[OH2:1].[OH2:44].[S:34]([O-:35])([O-:36])(=[O:37])=[S:38].[c:2]1([CH3:3])[cH:4][cH:5][c:6]([S:7]([OH:8])(=[O:9])=[O:10])[cH:11][cH:12]1>>[Cl:13][c:14]1[c:15]([I:28])[c:17]([Cl:22])[cH:18][c:19]([Cl:21])[cH:20]1

Participants

11

Reactant 10

HCID 769Bicarbonate IonHCID 813Potassium CationHCID 923Sodium ion4×HCID 946NitriteHCID 962Water2×HCID 1084Thiosulfate ionHCID 6101p-Toluenesulfonic acidHCID 6342AcetonitrileHCID 124712,4,6-TrichloroanilineHCID 30165Iodide Ion

Product 1

HCID 2320541,3,5-Trichloro-2-iodobenzene

Sources & evidence

ORD record
ord-90f65b42be38422da3526ed492059de1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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