Trifluoroacetic acid → Trifluoroacetic acid

HRID 2328559Notes

Reaction equation

HRID 2328559 reaction equation
[CH:39]([N:40]([CH:41]([CH3:42])[CH3:43])[CH2:44][CH3:45])([CH3:46])[CH3:47].[Cl:8][c:9]1[cH:10][cH:11][c:12]2[c:16]([cH:17]1)[NH:15][C:14](=[O:18])[C:13]21[CH:19]([CH2:34][C:35]([CH3:36])([CH3:37])[CH3:38])[NH:20][CH:21]([C:31](=[O:32])[OH:33])[CH:22]1[c:23]1[c:24]([F:30])[c:25]([Cl:29])[cH:26][cH:27][cH:28]1.[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[NH2:63][c:64]1[n:65][n:66]([CH2:69][C:70]([CH3:71])([OH:72])[CH3:73])[cH:67][cH:68]1.[c:48]1([P:49]([Cl:50])([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)=[O:57])[cH:58][cH:59][cH:60][cH:61][cH:62]1>>[Cl:8][c:9]1[cH:10][cH:11][c:12]2[c:16]([cH:17]1)[NH:15][C:14](=[O:18])[C:13]21[CH:19]([CH2:34][C:35]([CH3:36])([CH3:37])[CH3:38])[NH:20][CH:21]([C:31](=[O:33])[NH:63][c:64]2[n:65][n:66]([CH2:69][C:70]([CH3:71])([OH:72])[CH3:73])[cH:67][cH:68]2)[CH:22]1[c:23]1[c:24]([F:30])[c:25]([Cl:29])[cH:26][cH:27][cH:28]1.[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7]

Participants

7

Reactant 5

HCID 6422Trifluoroacetic acidHCID 73910Diphenylphosphinic chlorideHCID 81531DiisopropylethylamineHCID 593449381-(3-amino-1H-pyrazol-1-yl)-2-methylpropan-2-olHCID 66625245rac-(2'S,3'R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluoro-phenyl)-2'-(2,2-dimethyl-propyl)-2-oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-5'-carboxylic acid

Product 2

HCID 6422Trifluoroacetic acidHCID 75986084HCID 75986084, compound

Sources & evidence

ORD record
ord-c601e1e440ff4379aa835e40f57a4505
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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