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

HRID 1240862Notes

Reaction equation

HRID 1240862 reaction equation
[CH:69]([N:70]([CH2:71][CH3:72])[CH:73]([CH3:74])[CH3:75])([CH3:76])[CH3:77].[Cl:1][c:2]1[c:3]([F:33])[c:4]([CH:8]2[CH:9]([C:30](=[O:31])[OH:32])[NH:10][CH:11]([CH2:23][C:24]([CH2:25][CH2:26][OH:27])([CH3:28])[CH3:29])[C:12]2([C:13]#[N:14])[c:15]2[c:16]([F:22])[cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1.[Cl:78][CH2:79][Cl:80].[NH2:34][c:35]1[n:36][n:37]([CH2:40][C:41]([CH3:42])([OH:43])[CH3:44])[cH:38][cH:39]1.[P-:45]([F:46])([F:47])([F:48])([F:49])([F:50])[F:51].[n:52]1([O:53][C:54]([N:55]([CH3:56])[CH3:57])=[N+:58]([CH3:59])[CH3:60])[c:61]2[n:62][cH:63][cH:64][cH:65][c:66]2[n:67][n:68]1>>[Cl:1][c:2]1[c:3]([F:33])[c:4]([CH:8]2[CH:9]([C:30](=[O:32])[NH:34][c:35]3[n:36][n:37]([CH2:40][C:41]([CH3:42])([OH:43])[CH3:44])[cH:38][cH:39]3)[NH:10][CH:11]([CH2:23][C:24]([CH2:25][CH2:26][OH:27])([CH3:28])[CH3:29])[C:12]2([C:13]#[N:14])[c:15]2[c:16]([F:22])[cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 593449381-(3-amino-1H-pyrazol-1-yl)-2-methylpropan-2-olHCID 66666420HCID 66666420, compound

Product 1

HCID 72243968rac-(2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(4-hydroxy-2,2-dimethyl-butyl)-pyrrolidine-2-carboxylic acid [1-(2-hydroxy-2-methyl-propyl)-1H-pyrazol-3-yl]-amide

Sources & evidence

ORD record
ord-2bd188ebca6b4565a2bbc78a7a496338
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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