Methanol → Trifluoroacetic acid

HRID 2324518Notes

Reaction equation

HRID 2324518 reaction equation
[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:57][OH:58].[CH3:8][O:9][C:10]([CH:11]([CH2:12][c:13]1[n:14][cH:15][s:16][cH:17]1)[NH:18][C:19](=[O:20])[CH:21]1[NH:22][CH:23]([CH2:44][C:45]([CH3:46])([CH3:47])[CH3:48])[C:24]([C:34]#[N:35])([c:36]2[c:37]([F:43])[cH:38][c:39]([Cl:42])[cH:40][cH:41]2)[CH:25]1[c:26]1[c:27]([F:33])[c:28]([Cl:32])[cH:29][cH:30][cH:31]1)=[O:49].[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[Li+:51].[OH-:50].[OH2:59]>>[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[O:9]=[C:10]([CH:11]([CH2:12][c:13]1[n:14][cH:15][s:16][cH:17]1)[NH:18][C:19](=[O:20])[CH:21]1[NH:22][CH:23]([CH2:44][C:45]([CH3:46])([CH3:47])[CH3:48])[C:24]([C:34]#[N:35])([c:36]2[c:37]([F:43])[cH:38][c:39]([Cl:42])[cH:40][cH:41]2)[CH:25]1[c:26]1[c:27]([F:33])[c:28]([Cl:32])[cH:29][cH:30][cH:31]1)[OH:49]

Participants

9

Reactant 7

HCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 6422Trifluoroacetic acidHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 72272552HCID 72272552, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 76022148HCID 76022148, compound

Sources & evidence

ORD record
ord-d346dd1349e04f23845bce7c039410a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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