Methanol → Trifluoroacetic acid

HRID 1548280Notes

Reaction equation

HRID 1548280 reaction equation
[CH3:35][OH:36].[CH:8]1([CH:13]([CH2:14][CH:15]=[C:16]([F:17])[F:18])[n:19]2[n:20][cH:21][c:22](-[c:24]3[c:25]4[c:26]([n:27][cH:28][n:29]3)[nH:30][cH:31][cH:32]4)[cH:23]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:33][H:34]>>[CH:8]1([CH:13]([CH2:14][CH2:15][CH:16]([F:17])[F:18])[n:19]2[n:20][cH:21][c:22](-[c:24]3[c:25]4[c:26]([n:27][cH:28][n:29]3)[nH:30][cH:31][cH:32]4)[cH:23]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 57478011HCID 57478011, compoundHCID 178418361HCID 178418361, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 574780134-[1-(1-cyclopentyl-4,4-difluorobutyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine

Sources & evidence

ORD record
ord-b208845fd0954ae7ac4c900c1b514ac4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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