Methanol → Hydrogen iodide

HRID 2135641Notes

Reaction equation

HRID 2135641 reaction equation
[CH3:41][OH:42].[Cl:29][Si:30]([CH3:31])([CH3:32])[CH3:33].[I-:28].[N:1](=[N+:2]=[N-:3])[CH2:4][CH2:5][CH2:6][NH:7][c:8]1[c:9](-[c:13]2[n:14][o:15][c:16](=[O:26])[n:17]2-[c:18]2[cH:19][c:20]([Br:25])[c:21]([F:24])[cH:22][cH:23]2)[n:10][o:11][n:12]1.[Na+:27].[Na+:39].[Na+:40].[OH2:43].[S:34]([O-:35])([O-:36])(=[O:37])=[S:38]>>[IH:28].[NH2:1][CH2:4][CH2:5][CH2:6][NH:7][c:8]1[c:9](-[c:13]2[n:14][o:15][c:16](=[O:26])[n:17]2-[c:18]2[cH:19][c:20]([Br:25])[c:21]([F:24])[cH:22][cH:23]2)[n:10][o:11][n:12]1

Participants

9

Reactant 7

HCID 887MethanolHCID 923Sodium ion3×HCID 962WaterHCID 1084Thiosulfate ionHCID 6397ChlorotrimethylsilaneHCID 30165Iodide IonHCID 866380023-{4-[(3-azidopropyl)amino]-1,2,5-oxadiazol-3-yl}-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5(4H)-one

Product 2

HCID 24841Hydrogen iodideHCID 66605828HCID 66605828, compound

Sources & evidence

ORD record
ord-e3f773eca88c49c4812b9af57b27198f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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