Acetonitrile → Trifluoroacetic acid

HRID 193540

Reaction equation

HRID 193540 reaction equation
[C:42](#[N:43])[CH3:44].[CH2:28]([CH2:29][CH2:30][CH3:31])[N:32]=[C:33]=[O:34].[F:35][C:36]([C:37](=[O:38])[OH:39])([F:40])[F:41].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][c:9]1[nH:10][cH:11][c:12](-[c:14]2[cH:15][cH:16][c:17]([O:18][c:19]3[cH:20][cH:21][c:22]([NH2:23])[cH:24][cH:25]3)[cH:26][cH:27]2)[n:13]1.[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1>>[F:35][C:36]([C:37](=[O:38])[OH:39])([F:40])[F:41].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][c:9]1[nH:10][cH:11][c:12](-[c:14]2[cH:15][cH:16][c:17]([O:18][c:19]3[cH:20][cH:21][c:22]([NH:23][C:33]([NH:32][CH2:28][CH2:29][CH2:30][CH3:31])=[O:34])[cH:24][cH:25]3)[cH:26][cH:27]2)[n:13]1

Participants

7

Reactant 5

HCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 8028TetrahydrofuranHCID 8110Butyl isocyanateHCID 178507748HCID 178507748, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 178449557HCID 178449557, compound

Sources & evidence

ORD record
ord-1b48bdb1d3fa4be1b4f9153f9e2b004c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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