Ammonium → Trifluoroacetic acid

HRID 154149Notes

Reaction equation

HRID 154149 reaction equation
[CH3:1][Si:2]([CH3:3])([CH3:4])[CH2:5][CH2:6][O:29][CH2:30][n:7]1[cH:8][cH:9][c:10]2[c:11]1[n:12][cH:13][cH:14][c:15]2-[c:16]1[n:17][o:18][c:19](-[c:21]2[cH:22][c:23]([C:24]#[N:25])[cH:26][cH:27][cH:28]2)[n:20]1.[CH3:38][OH:39].[F:31][C:32]([C:33](=[O:34])[OH:35])([F:36])[F:37].[NH4+:40].[OH-:41]>>[F:31][C:32]([C:33](=[O:34])[OH:35])([F:36])[F:37].[nH:7]1[cH:8][cH:9][c:10]2[c:11]1[n:12][cH:13][cH:14][c:15]2-[c:16]1[n:17][o:18][c:19](-[c:21]2[cH:22][c:23]([C:24]#[N:25])[cH:26][cH:27][cH:28]2)[n:20]1

Participants

7

Reactant 5

HCID 223AmmoniumHCID 887MethanolHCID 961HydroxideHCID 6422Trifluoroacetic acidHCID 574776613-[3-(1-[2-(trimethylsilyl)ethoxy]methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile

Product 2

HCID 6422Trifluoroacetic acidHCID 446254233-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile

Sources & evidence

ORD record
ord-5d4fa6b97b3542ab80ad6b06e7b1bc2b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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