Methanol → 3-Hydroxy-4-iodobenzonitrile

HRID 695302Notes

Reaction equation

HRID 695302 reaction equation
[CH3:18][CH2:19][N:20]([CH2:21][CH3:22])[CH2:23][CH3:24].[CH3:53][OH:54].[Cl:12][C:13]([O:14][CH2:15][CH3:16])=[O:17].[F:25][C:26]([S:27]([O:28][S:29]([C:30]([F:31])([F:32])[F:33])(=[O:34])=[O:35])(=[O:36])=[O:37])([F:38])[F:39].[Na+:47].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1.[OH-:46].[OH:1][c:2]1[cH:3][c:4]([C:5]([OH:6])=[O:7])[cH:8][cH:9][c:10]1[I:11].[cH:40]1[cH:41][cH:42][n:43][cH:44][cH:45]1>>[OH:1][c:2]1[cH:3][c:4]([C:5]#[N:20])[cH:8][cH:9][c:10]1[I:11]

Participants

10

Reactant 9

HCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 1049PyridineHCID 8028Tetrahydrofuran2×HCID 8471TriethylamineHCID 10928Ethyl chloroformateHCID 67749Trifluoromethanesulfonic anhydrideHCID 7368543-Hydroxy-4-iodobenzoic acid

Product 1

HCID 109446813-Hydroxy-4-iodobenzonitrile

Sources & evidence

ORD record
ord-7519db7d7b6d4d8f8f8fedf42f4f68f3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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