Trifluoroacetic acid → rac-(2'S,3'R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluoro-phenyl)-2'-(2,2-dimethyl-propyl)-5-fluoro-2-oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-5'-carboxylic acid (4-cyano-2-methoxy-phenyl)-amide

HRID 187104Notes

Reaction equation

HRID 187104 reaction equation
[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[Cl:8][c:9]1[c:10]([F:39])[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].[NH2:64][c:65]1[c:66]([O:73][CH3:74])[cH:67][c:68]([C:69]#[N:70])[cH:71][cH:72]1.[c:49]1([P:50]([Cl:51])([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)=[O:58])[cH:59][cH:60][cH:61][cH:62][cH:63]1>>[Cl:8][c:9]1[c:10]([F:39])[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:64][c:65]2[c:66]([O:73][CH3:74])[cH:67][c:68]([C:69]#[N:70])[cH:71][cH:72]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 118159314-Amino-3-methoxybenzonitrileHCID 666330566-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylic acid

Product 1

HCID 75986555rac-(2'S,3'R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluoro-phenyl)-2'-(2,2-dimethyl-propyl)-5-fluoro-2-oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-5'-carboxylic acid (4-cyano-2-methoxy-phenyl)-amide

Sources & evidence

ORD record
ord-4b122f0241f946b89179447230f23f43
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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