Dimethylformamide → Trifluoroacetic acid

HRID 695314Notes

Reaction equation

HRID 695314 reaction equation
[CH2:80]([Cl:81])[Cl:82].[CH:66]([N:67]([CH2:68][CH3:69])[CH:70]([CH3:71])[CH3:72])([CH3:73])[CH3:74].[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[NH2:8][CH:9]([C:10](=[O:11])[NH:12][CH:13]1[CH:14]([CH2:24][CH2:25][CH2:26][CH3:27])[CH2:15][CH:16]([N:19]([CH3:20])[CH:21]([CH3:22])[CH3:23])[CH2:17][CH2:18]1)[CH3:28].[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[OH:53][C:54](=[O:55])[c:56]1[cH:57][cH:58][cH:59][c:60]([C:62]([F:63])([F:64])[F:65])[cH:61]1.[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[n:36]1([O:37][C:38]([N:39]([CH3:40])[CH3:41])=[N+:42]([CH3:43])[CH3:44])[c:45]2[n:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[NH:8]([CH:9]([C:10](=[O:11])[NH:12][CH:13]1[CH:14]([CH2:24][CH2:25][CH2:26][CH3:27])[CH2:15][CH:16]([N:19]([CH3:20])[CH:21]([CH3:22])[CH3:23])[CH2:17][CH2:18]1)[CH3:28])[C:54](=[O:53])[c:56]1[cH:57][cH:58][cH:59][c:60]([C:62]([F:63])([F:64])[F:65])[cH:61]1

Participants

10

Reactant 8

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 9886HexafluorophosphateHCID 99633-(Trifluoromethyl)benzoic acidHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 178441153HCID 178441153, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 178441154HCID 178441154, compound

Sources & evidence

ORD record
ord-f2bf9903e58949a4b023e213a62738f8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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