Acetonitrile → Trifluoroacetic acid

HRID 192579Notes

Reaction equation

HRID 192579 reaction equation
[CH2:44]([SiH:45]([CH2:46][CH3:47])[CH2:48][CH3:49])[CH3:50].[CH3:51][C:52]#[N:53].[CH:32]([CH:33]([CH3:34])[CH3:35])=[O:36].[F:37][C:38]([C:39](=[O:40])[OH:41])([F:42])[F:43].[NH2:1][c:2]1[c:3](-[c:13]2[n:14][c:15](-[c:18]3[cH:19][cH:20][c:21]([CH2:22][N:23]4[CH2:24][CH:25]([C:27](=[O:28])[OH:29])[CH2:26]4)[cH:30][cH:31]3)[n:16][o:17]2)[cH:4][n:5][n:6]1-[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1>>[F:37][C:38]([C:39](=[O:40])[OH:41])([F:42])[F:43].[NH:1]([c:2]1[c:3](-[c:13]2[n:14][c:15](-[c:18]3[cH:19][cH:20][c:21]([CH2:22][N:23]4[CH2:24][CH:25]([C:27](=[O:28])[OH:29])[CH2:26]4)[cH:30][cH:31]3)[n:16][o:17]2)[cH:4][n:5][n:6]1-[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[CH2:32][CH:33]([CH3:34])[CH3:35]

Participants

7

Reactant 5

HCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 6561IsobutyraldehydeHCID 12052TriethylsilaneHCID 58504341HCID 58504341, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 46864333HCID 46864333, compound

Sources & evidence

ORD record
ord-6b2187e37ce44b02889aceb360085013
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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