Methanol → Trifluoroacetic acid

HRID 288510Notes

Reaction equation

HRID 288510 reaction equation
[CH3:33][OH:34].[CH:8]1([CH:13]([CH2:14][C:15]#[CH:16])[n:17]2[n:18][cH:19][c:20](-[c:22]3[c:23]4[c:24]([n:25][cH:26][n:27]3)[nH:28][cH:29][cH:30]4)[cH:21]2)[CH2:9][CH2:10][CH2:11][CH2:12]1.[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[H:31][H:32]>>[CH:8]1([CH:13]([CH2:14][CH2:15][CH3:16])[n:17]2[n:18][cH:19][c:20](-[c:22]3[c:23]4[c:24]([n:25][cH:26][n:27]3)[nH:28][cH:29][cH:30]4)[cH:21]2)[CH2:9][CH2:10][CH2:11][CH2:12]1.[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7]

Participants

6

Reactant 4

HCID 887MethanolHCID 6422Trifluoroacetic acidHCID 574780084-(1-(1-Cyclopentylbut-3-yn-1-yl)-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidineHCID 178418361HCID 178418361, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 446255944-[1-(1-Cyclopentylbutyl)-1h-pyrazol-4-yl]-7h-pyrrolo[2,3-d]pyrimidine

Sources & evidence

ORD record
ord-ac83d1d83cd54b54a24691efb5e9d4a1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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