Water → Benzoic acid, 4-cyano-2-fluoro-5-iodo-, methyl ester

HRID 146938Notes

Reaction equation

HRID 146938 reaction equation
[CH2:32]1[O:33][CH2:34][CH2:35][CH2:36]1.[CH3:18][CH:19]([CH2:20][CH2:21][O:22][N:23]=[O:24])[CH3:25].[CH3:26][CH2:27][O:28][C:29](=[O:30])[CH3:31].[Cu:37][I:38].[I:15][CH2:16][I:17].[NH2:1][c:2]1[c:3]([C:13]#[N:14])[cH:4][c:5]([F:12])[c:6]([C:7](=[O:8])[O:9][CH3:10])[cH:11]1.[OH2:39]>>[c:2]1([I:15])[c:3]([C:13]#[N:14])[cH:4][c:5]([F:12])[c:6]([C:7](=[O:8])[O:9][CH3:10])[cH:11]1

Participants

8

Reactant 7

HCID 962WaterHCID 6346DiiodomethaneHCID 8028TetrahydrofuranHCID 8053Isoamyl NitriteHCID 8857Ethyl AcetateHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 67403793Benzoic acid, 5-amino-4-cyano-2-fluoro-, methyl ester

Product 1

HCID 67404196Benzoic acid, 4-cyano-2-fluoro-5-iodo-, methyl ester

Sources & evidence

ORD record
ord-6d96d0999bab4bd5bcc49ea535b5afd4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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