Trifluoroacetic acid → 6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-N-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

HRID 100890Notes

Reaction equation

HRID 100890 reaction equation
[CH3:63][S:64](=[O:65])(=[O:66])[CH2:67][CH2:68][CH2:69][O:70][c:71]1[cH:72][c:73]([O:78][CH3:79])[c:74]([NH2:77])[cH:75][cH:76]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:77][c:74]2[c:73]([O:78][CH3:79])[cH:72][c:71]([O:70][CH2:69][CH2:68][CH2:67][S:64]([CH3:63])(=[O:65])=[O:66])[cH:76][cH:75]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 582862934-(3-Methanesulfonyl-propoxy)-2-methoxy-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 767411236-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-N-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

Sources & evidence

ORD record
ord-d1a5dd56655e4457bdd6806ffd9ada6e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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