Ammonium → Trifluoroacetic acid

HRID 1134373Notes

Reaction equation

HRID 1134373 reaction equation
[CH2:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[N:15]1[CH2:16][CH2:17][CH:18]([NH:21][c:22]2[n:23][c:24]([NH:45][CH2:46][CH:47]([c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)[c:54]3[cH:55][cH:56][cH:57][cH:58][cH:59]3)[c:25]3[n:26][cH:27][n:28]([CH:31]4[CH:32]([OH:44])[CH:33]([OH:43])[CH:34]([n:36]5[n:37][cH:38][c:39]([CH2:41][OH:42])[cH:40]5)[CH2:35]4)[c:29]3[n:30]2)[CH2:19][CH2:20]1.[CH3:64][CH2:65][OH:66].[CH:60]([O-:61])=[O:62].[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[NH4+:63].[OH-:67].[OH-:69].[Pd+2:68]>>[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[NH:15]1[CH2:16][CH2:17][CH:18]([NH:21][c:22]2[n:23][c:24]([NH:45][CH2:46][CH:47]([c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)[c:54]3[cH:55][cH:56][cH:57][cH:58][cH:59]3)[c:25]3[n:26][cH:27][n:28]([CH:31]4[CH:32]([OH:44])[CH:33]([OH:43])[CH:34]([n:36]5[n:37][cH:38][c:39]([CH2:41][OH:42])[cH:40]5)[CH2:35]4)[c:29]3[n:30]2)[CH2:19][CH2:20]1

Participants

9

Reactant 7

HCID 223AmmoniumHCID 283FormateHCID 702EthanolHCID 961Hydroxide2×HCID 6422Trifluoroacetic acidHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 178519893HCID 178519893, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 178519892HCID 178519892, compound

Sources & evidence

ORD record
ord-e31887e9c20849fbb3ae0498470c4340
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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