Trifluoroacetic acid → Trifluoroacetate

HRID 1234077Notes

Reaction equation

HRID 1234077 reaction equation
[CH:1]1([c:4]2[n:5][cH:6][c:7](-[c:10]3[cH:11][c:12]4[c:17]([cH:18][cH:19]3)[CH2:16][N:15]([C:20]([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[CH2:14][CH2:13]4)[cH:8][n:9]2)[CH2:2][CH2:3]1.[F:27][C:28]([C:29](=[O:30])[OH:31])([F:32])[F:33]>>[CH:1]1([c:4]2[n:5][cH:6][c:7](-[c:10]3[cH:11][c:12]4[c:17]([cH:18][cH:19]3)[CH2:16][NH:15][CH2:14][CH2:13]4)[cH:8][n:9]2)[CH2:2][CH2:3]1.[F:27][C:28]([C:29](=[O:30])[O-:31])([F:32])[F:33]

Participants

4

Reactant 2

HCID 6422Trifluoroacetic acidHCID 66734991tert-Butyl 6-[2-(cyclopropyl)pyrimidin-5-yl]-3,4-dihydroisoquinoline-2(1H)-carboxylate

Product 2

HCID 84468TrifluoroacetateHCID 667348536-[2-(Cyclopropyl)pyrimidin-5-yl]-1,2,3,4-tetrahydroisoquinoline

Sources & evidence

ORD record
ord-ab040902e43f4955b2b7e857931cfb7a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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