Dichloromethane → rac-(2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(3-hydroxy-2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid [1-(2-hydroxy-2-methyl-propyl)-1H-pyrazol-3-yl]-amide

HRID 204839Notes

Reaction equation

HRID 204839 reaction equation
[CH3:51][CH2:52][N:53]=[C:54]=[N:55][CH2:56][CH2:57][CH2:58][N:59]([CH3:60])[CH3:61].[Cl:72][CH2:73][Cl:74].[Cl:8][c:9]1[c:10]([F:39])[c:11]([CH:15]2[CH:16]([C:36](=[O:37])[OH:38])[NH:17][CH:18]([CH2:30][C:31]([CH2:32][OH:33])([CH3:34])[CH3:35])[C:19]2([C:20]#[N:21])[c:22]2[c:23]([F:29])[cH:24][c:25]([Cl:28])[cH:26][cH:27]2)[cH:12][cH:13][cH:14]1.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[NH2:40][c:41]1[n:42][n:43]([CH2:46][C:47]([CH3:48])([OH:49])[CH3:50])[cH:44][cH:45]1.[OH:62][n:63]1[c:64]2[c:65]([cH:66][cH:67][cH:68][cH:69]2)[n:70][n:71]1>>[Cl:8][c:9]1[c:10]([F:39])[c:11]([CH:15]2[CH:16]([C:36](=[O:37])[NH:40][c:41]3[n:42][n:43]([CH2:46][C:47]([CH3:48])([OH:49])[CH3:50])[cH:44][cH:45]3)[NH:17][CH:18]([CH2:30][C:31]([CH2:32][OH:33])([CH3:34])[CH3:35])[C:19]2([C:20]#[N:21])[c:22]2[c:23]([F:29])[cH:24][c:25]([Cl:28])[cH:26][cH:27]2)[cH:12][cH:13][cH:14]1

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 593449381-(3-amino-1H-pyrazol-1-yl)-2-methylpropan-2-olHCID 686186883-(3-Chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(3-hydroxy-2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid

Product 1

HCID 72243934rac-(2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(3-hydroxy-2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid [1-(2-hydroxy-2-methyl-propyl)-1H-pyrazol-3-yl]-amide

Sources & evidence

ORD record
ord-ebe42f6644824839b38b7e7cae30b28d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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