Acetonitrile → Trifluoroacetic acid

HRID 1220733Notes

Reaction equation

HRID 1220733 reaction equation
[Br:43][CH2:44][C:45](=[O:46])[NH2:47].[CH3:48][C:49]#[N:50].[CH3:8][O:9][c:10]1[c:11]([C:30]([F:31])([F:32])[F:33])[cH:12][c:13](-[c:16]2[n:17][c:18]([C:28]#[N:29])[n:19][c:20]([N:22]3[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]3)[cH:21]2)[cH:14][cH:15]1.[CH:34]([N:35]([CH:36]([CH3:37])[CH3:38])[CH2:39][CH3:40])([CH3:41])[CH3:42].[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7]>>[CH3:8][O:9][c:10]1[c:11]([C:30]([F:31])([F:32])[F:33])[cH:12][c:13](-[c:16]2[n:17][c:18]([C:28]#[N:29])[n:19][c:20]([N:22]3[CH2:23][CH2:24][N:25]([CH2:44][C:45](=[O:46])[NH2:47])[CH2:26][CH2:27]3)[cH:21]2)[cH:14][cH:15]1.[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7]

Participants

7

Reactant 5

HCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 696322-BromoacetamideHCID 81531DiisopropylethylamineHCID 16119348HCID 16119348, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 58878062HCID 58878062, compound

Sources & evidence

ORD record
ord-a2f047b42b4d43f2a07d780a5feb6a90
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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