Methanol → Trifluoroacetic acid

HRID 156877Notes

Reaction equation

HRID 156877 reaction equation
[CH3:1][C:2]1([CH3:32])[CH2:3][CH:4]=[C:5]([c:8]2[n:9][cH:10][cH:11][cH:12][c:13]2[NH:14][C:15](=[O:16])[c:17]2[n:18]([CH2:24][O:25][CH2:26][CH2:27][Si:28]([CH3:29])([CH3:30])[CH3:31])[cH:19][c:20]([C:22]#[N:23])[n:21]2)[CH2:6][CH2:7]1.[CH3:33][OH:34].[Cl:42][CH2:43][Cl:44].[F:35][C:36]([C:37](=[O:38])[OH:39])([F:40])[F:41]>>[CH3:1][C:2]1([CH3:32])[CH2:3][CH:4]=[C:5]([c:8]2[n:9][cH:10][cH:11][cH:12][c:13]2[NH:14][C:15](=[O:16])[c:17]2[nH:18][cH:19][c:20]([C:22]#[N:23])[n:21]2)[CH2:6][CH2:7]1.[F:35][C:36]([C:37](=[O:38])[OH:39])([F:40])[F:41]

Participants

6

Reactant 4

HCID 887MethanolHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 587548574-Cyano-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazole-2-carboxylic acid [2-(4,4-dimethyl-cyclohex-1-enyl)-pyridin-3-yl]-amide

Product 2

HCID 6422Trifluoroacetic acidHCID 178424656HCID 178424656, compound

Sources & evidence

ORD record
ord-9932b57d8fdb4fb1a8740dc44a855617
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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