Methanol → Trifluoroacetic acid

HRID 2320527Notes

Reaction equation

HRID 2320527 reaction equation
[CH3:53][OH:54].[Cl:8][c:9]1[cH:10][c:11]([C:15]([CH:16]([C:17](=[O:18])[NH:19][CH:20]([C:21](=[O:22])[N:23]([CH:24]([CH:25]=[C:26]([C:27](=[O:28])[N:29]2[CH:30]([C:34](=[O:35])[O:36][CH3:37])[CH2:31][CH2:32][CH2:33]2)[CH3:38])[CH:39]([CH3:40])[CH3:41])[CH3:42])[C:43]([CH3:44])([CH3:45])[CH3:46])[NH:47][CH3:48])([CH3:49])[CH3:50])[cH:12][cH:13][cH:14]1.[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[Li+:51].[OH-:52].[OH2:55]>>[Cl:8][c:9]1[cH:10][c:11]([C:15]([CH:16]([C:17](=[O:18])[NH:19][CH:20]([C:21](=[O:22])[N:23]([CH:24]([CH:25]=[C:26]([C:27](=[O:28])[N:29]2[CH:30]([C:34](=[O:35])[OH:36])[CH2:31][CH2:32][CH2:33]2)[CH3:38])[CH:39]([CH3:40])[CH3:41])[CH3:42])[C:43]([CH3:44])([CH3:45])[CH3:46])[NH:47][CH3:48])([CH3:49])[CH3:50])[cH:12][cH:13][cH:14]1.[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7]

Participants

8

Reactant 6

HCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 6422Trifluoroacetic acidHCID 28486Lithium ionHCID 178484712HCID 178484712, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 178484709HCID 178484709, compound

Sources & evidence

ORD record
ord-3e87b869d57b4833ace19ed37de011a4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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