Methanol → Hydrogen iodide

HRID 669975Notes

Reaction equation

HRID 669975 reaction equation
[CH3:42][OH:43].[Cl:30][Si:31]([CH3:32])([CH3:33])[CH3:34].[I-:29].[N:1](=[N+:2]=[N-:3])[CH2:4][CH2:5][NH:6][c:7]1[c:8](-[c:12]2[n:13][o:14][c:15](=[O:27])[n:16]2-[c:17]2[cH:18][c:19]([C:23]([F:24])([F:25])[F:26])[cH:20][cH:21][cH:22]2)[n:9][o:10][n:11]1.[Na+:28].[Na+:40].[Na+:41].[OH2:44].[S:35]([O-:36])([O-:37])(=[O:38])=[S:39]>>[IH:29].[NH2:1][CH2:4][CH2:5][NH:6][c:7]1[c:8](-[c:12]2[n:13][o:14][c:15](=[O:27])[n:16]2-[c:17]2[cH:18][c:19]([C:23]([F:24])([F:25])[F:26])[cH:20][cH:21][cH:22]2)[n:9][o:10][n:11]1

Participants

9

Reactant 7

HCID 887MethanolHCID 923Sodium ion3×HCID 962WaterHCID 1084Thiosulfate ionHCID 6397ChlorotrimethylsilaneHCID 30165Iodide IonHCID 866380183-{4-[(2-Azidoethyl)amino]-1,2,5-oxadiazol-3-yl}-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5(4H)-one

Product 2

HCID 24841Hydrogen iodideHCID 66605834HCID 66605834, compound

Sources & evidence

ORD record
ord-3931b3f89bb24f00a5c663379abae58f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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