Trifluoroacetic acid → HCID 178493547, compound

HRID 1153418Notes

Reaction equation

HRID 1153418 reaction equation
[CH3:63][O:64][c:65]1[c:66]([NH2:76])[cH:67][cH:68][c:69]([O:71][CH2:72][CH2:73][S:74][CH3:75])[cH:70]1.[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]([F:3])([F:4])[C:5]([OH:6])=[O:7].[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:32])[NH:76][c:66]2[c:65]([O:64][CH3:63])[cH:70][c:69]([O:71][CH2:72][CH2:73][S:74][CH3:75])[cH:68][cH:67]2)[CH:22]1[c:23]1[c:24]([F:30])[c:25]([Cl:29])[cH:26][cH:27][cH:28]1

Participants

6

Reactant 5

HCID 6422Trifluoroacetic acidHCID 73910Diphenylphosphinic chlorideHCID 81531DiisopropylethylamineHCID 582863432-Methoxy-4-(2-methylsulfanyl-ethoxy)-phenylamineHCID 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 1

HCID 178493547HCID 178493547, compound

Sources & evidence

ORD record
ord-19c0ea6bb020427188f41c8102b06438
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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