Dimethylformamide → Trifluoroacetate

HRID 1211011Notes

Reaction equation

HRID 1211011 reaction equation
[B-:45]([F:46])([F:47])([F:48])[F:49].[CH3:67][N:68]1[CH2:69][CH2:70][O:71][CH2:72][CH2:73]1.[CH:33]1([N:38]2[C:39](=[O:44])[CH2:40][NH2+:41][CH2:42][CH2:43]2)[CH2:34][CH2:35][CH2:36][CH2:37]1.[Cl:79][CH2:80][Cl:81].[F:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([CH2:11][c:12]2[n:13][nH:14][c:15](=[O:25])[c:16]([C:18]([C:19]([F:20])([F:21])[F:22])([F:23])[F:24])[cH:17]2)[cH:9][cH:10]1.[F:26][C:27]([C:28](=[O:29])[O-:30])([F:31])[F:32].[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[n:50]1([O:51][C:52]([N:53]([CH3:54])[CH3:55])=[N+:56]([CH3:57])[CH3:58])[c:59]2[cH:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1>>[F:1][c:2]1[c:3]([C:4](=[O:6])[N:41]2[CH2:40][C:39](=[O:44])[N:38]([CH:33]3[CH2:34][CH2:35][CH2:36][CH2:37]3)[CH2:43][CH2:42]2)[cH:7][c:8]([CH2:11][c:12]2[nH+:13][nH:14][c:15](=[O:25])[c:16]([C:18]([C:19]([F:20])([F:21])[F:22])([F:23])[F:24])[cH:17]2)[cH:9][cH:10]1.[F:26][C:27]([C:28](=[O:29])[O-:30])([F:31])[F:32]

Participants

10

Reactant 8

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 79724-MethylmorpholineHCID 26255TetrafluoroborateHCID 84468TrifluoroacetateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 6969838HCID 6969838, compoundHCID 86646547HCID 86646547, compound

Product 2

HCID 84468TrifluoroacetateHCID 178519415HCID 178519415, compound

Sources & evidence

ORD record
ord-79a69fb507e14b9e90df1e12457f51c1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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