Methanol → Trifluoroacetic acid

HRID 189392Notes

Reaction equation

HRID 189392 reaction equation
[CH2:42]1[CH2:43][NH:44][CH2:47][CH2:46][NH:45]1.[CH3:15][O:16][c:17]1[cH:18][cH:19][c:20]([CH2:35][N:36]2[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]2)[c:21]2[cH:22][cH:23][n:24]([S:26](=[O:27])(=[O:28])[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[c:25]12.[CH3:48][Si:49]([C:50]#[N:51])([CH3:52])[CH3:53].[CH3:54][OH:55].[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[F:8][C:9]([F:10])([F:11])[C:12]([OH:13])=[O:14]>>[CH3:15][O:16][c:17]1[cH:18][cH:19][c:20]([CH:35]([N:36]2[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]2)[C:43]#[N:44])[c:21]2[cH:22][cH:23][n:24]([S:26](=[O:27])(=[O:28])[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[c:25]12.[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7]

Participants

7

Reactant 5

HCID 887MethanolHCID 4837PiperazineHCID 6422Trifluoroacetic acid2×HCID 82115Trimethylsilyl cyanideHCID 24775487HCID 24775487, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 24775757HCID 24775757, compound

Sources & evidence

ORD record
ord-e74794f9c38e41a7a78833b80e598b2c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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