Dimethylformamide → Trifluoroacetic acid

HRID 166431Notes

Reaction equation

HRID 166431 reaction equation
[B-:28]([F:29])([F:30])([F:31])[F:32].[CH3:59][O:60][C:61]([CH2:62][CH2:63][NH:64][CH:65]([CH3:66])[CH3:67])=[O:68].[CH3:8][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.[CH:50]([N:51]([CH2:52][CH3:53])[CH:54]([CH3:55])[CH3:56])([CH3:57])[CH3:58].[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[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>>[CH3:8][c:9]1[cH:10][c:11]([C:12](=[O:14])[N:64]([CH2:63][CH2:62][C:61]([O:60][CH3:59])=[O:68])[CH:65]([CH3:66])[CH3:67])[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

9

Reactant 7

HCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 12774812Methyl 3-[(propan-2-yl)amino]propanoateHCID 183490523-Methyl-5-[2-(pyridin-4-ylamino)ethoxy]benzoic acid

Product 2

HCID 6422Trifluoroacetic acidHCID 17899570Methyl 3-[[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]benzoyl]-propan-2-ylamino]propanoate

Sources & evidence

ORD record
ord-9ae69aeedc4a403da3f1fadf62774255
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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