Water → Trifluoroacetate

HRID 165556Notes

Reaction equation

HRID 165556 reaction equation
[CH2:8]([O:10][C:11](=[O:9])[NH:13][CH:14]([CH3:15])[C:16](=[O:17])[NH:18][c:19]1[cH:20][c:21]([CH2:22][c:23]2[c:24]([CH3:31])[c:25]([CH3:30])[c:26](=[O:29])[nH:27][nH+:28]2)[cH:32][cH:33][c:34]1[F:35])[CH3:12].[CH3:41][N:42]([c:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1)[CH3:49].[CH3:51][C:52]#[N:53].[F:1][C:2]([C:3](=[O:4])[O-:5])([F:6])[F:7].[O:36]=[CH:37][N:38]([CH3:39])[CH3:40].[OH2:50]>>[F:1][C:2]([C:3](=[O:4])[O-:5])([F:6])[F:7].[O:10]=[C:11]1[NH:13][CH:14]([CH3:15])[C:16](=[O:17])[N:18]1[c:19]1[cH:20][c:21]([CH2:22][c:23]2[c:24]([CH3:31])[c:25]([CH3:30])[c:26](=[O:29])[nH:27][nH+:28]2)[cH:32][cH:33][c:34]1[F:35]

Participants

8

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 142844-(Dimethylamino)pyridineHCID 84468TrifluoroacetateHCID 178473486HCID 178473486, compound

Product 2

HCID 84468TrifluoroacetateHCID 178422715HCID 178422715, compound

Sources & evidence

ORD record
ord-bb41c70076e943019735a8a7627e7214
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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