Dimethylformamide → Trifluoroacetic acid

HRID 1556706Notes

Reaction equation

HRID 1556706 reaction equation
[B-:28]([F:29])([F:30])([F:31])[F:32].[Br:8][c:9]1[cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:15][c:16]([O:18][CH2:19][CH2:20][NH:21][c:22]2[cH:23][cH:24][n:25][cH:26][cH:27]2)[cH:17]1.[CH3:69][NH:70][CH:71]1[CH2:72][CH2:73][CH2:74][CH2:75][CH2:76]1.[CH:60]([N:61]([CH2:62][CH3:63])[CH:64]([CH3:65])[CH3:66])([CH3:67])[CH3:68].[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[OH:50][n:51]1[c:52]2[c:53]([cH:54][cH:55][cH:56][cH:57]2)[n:58][n:59]1.[n:33]1([O:34][C:35]([N:36]([CH3:37])[CH3:38])=[N+:39]([CH3:40])[CH3:41])[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[Br:8][c:9]1[cH:10][c:11]([C:12](=[O:14])[N:70]([CH3:69])[CH:71]2[CH2:72][CH2:73][CH2:74][CH2:75][CH2:76]2)[cH:15][c:16]([O:18][CH2:19][CH2:20][NH:21][c:22]2[cH:23][cH:24][n:25][cH:26][cH:27]2)[cH:17]1.[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7]

Participants

10

Reactant 8

HCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 7514N-MethylcyclohexylamineHCID 26255TetrafluoroborateHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 18348924HCID 18348924, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 18349048HCID 18349048, compound

Sources & evidence

ORD record
ord-0484c44ecdaa4f618c84a4421362ad21
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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