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

HRID 2325640Notes

Reaction equation

HRID 2325640 reaction equation
[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46].[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]([CH2:33][C:34]([CH3:35])([CH3:36])[CH3:37])[NH:20][CH:21]([C:30](=[O:31])[OH:32])[CH:22]1[c:23]1[cH:24][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].[NH2:62][c:63]1[cH:64][cH:65][c:66]([C:67]#[N:68])[cH:69][cH:70]1.[c:47]1([P:48]([Cl:49])([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)=[O:56])[cH:57][cH:58][cH:59][cH:60][cH:61]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]([CH2:33][C:34]([CH3:35])([CH3:36])[CH3:37])[NH:20][CH:21]([C:30](=[O:31])[NH:62][c:63]2[cH:64][cH:65][c:66]([C:67]#[N:68])[cH:69][cH:70]2)[CH:22]1[c:23]1[cH:24][c:25]([Cl:29])[cH:26][cH:27][cH:28]1

Participants

6

Reactant 5

HCID 6422Trifluoroacetic acidHCID 133964-AminobenzonitrileHCID 73910Diphenylphosphinic chlorideHCID 81531DiisopropylethylamineHCID 66625042HCID 66625042, compound

Product 1

HCID 67227681rac-(2'S,3'R,4'R,5'R)-6-chloro-4'-(3-chloro-phenyl)-2'-(2,2-dimethyl-propyl)-2-oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-5'-carboxylic acid (4-cyano-phenyl)-amide

Sources & evidence

ORD record
ord-48aae689c9af4860b64bd291f70c39d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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