Methanol → Trifluoroacetic acid

HRID 1561220Notes

Reaction equation

HRID 1561220 reaction equation
[CH3:1][c:2]1[c:3]([CH2:4][NH:5][C:6](=[O:7])[c:8]2[cH:9][c:10]([C:32]([F:33])([F:34])[F:35])[n:11][n:12]2-[c:13]2[cH:14][c:15]([CH2:18][NH:19][C:20]([CH:21]([CH3:22])[NH:23][C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[s:16][cH:17]2)[cH:36][cH:37][cH:38][cH:39]1.[CH3:50][OH:51].[Cl:47][CH2:48][Cl:49].[F:40][C:41]([C:42](=[O:43])[OH:44])([F:45])[F:46]>>[CH3:1][c:2]1[c:3]([CH2:4][NH:5][C:6](=[O:7])[c:8]2[cH:9][c:10]([C:32]([F:33])([F:34])[F:35])[n:11][n:12]2-[c:13]2[cH:14][c:15]([CH2:18][NH:19][C:20]([CH:21]([CH3:22])[NH2:23])=[O:31])[s:16][cH:17]2)[cH:36][cH:37][cH:38][cH:39]1.[F:40][C:41]([C:42](=[O:43])[OH:44])([F:45])[F:46]

Participants

6

Reactant 4

HCID 887MethanolHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 69094614tert-butyl N-[1-[[4-[5-[(2-methylphenyl)methylcarbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]thiophen-2-yl]methylamino]-1-oxopropan-2-yl]carbamate

Product 2

HCID 6422Trifluoroacetic acidHCID 69299509HCID 69299509, compound

Sources & evidence

ORD record
ord-8340dcab7ffe4ee99f978b35d7c3bfd7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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