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-methyl-2-oxo-1,2-dihydro-pyridin-4-yl)-amide

HRID 137549Notes

Reaction equation

HRID 137549 reaction equation
[CH:74]([N:75]([CH2:76][CH3:77])[CH:78]([CH3:79])[CH3:80])([CH3:81])[CH3:82].[Cl:83][CH2:84][Cl:85].[Cl:8][c:9]1[c:10]([F:40])[c:11]([CH:15]2[CH:16]([C:37](=[O:38])[OH:39])[NH:17][CH:18]([CH2:30][C:31]([CH2:32][CH2:33][OH:34])([CH3:35])[CH3:36])[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].[NH2:41][c:42]1[cH:43][c:44](=[O:49])[n:45]([CH3:48])[cH:46][cH:47]1.[P-:50]([F:51])([F:52])([F:53])([F:54])([F:55])[F:56].[n:57]1([O:58][C:59]([N:60]([CH3:61])[CH3:62])=[N+:63]([CH3:64])[CH3:65])[c:66]2[n:67][cH:68][cH:69][cH:70][c:71]2[n:72][n:73]1>>[Cl:8][c:9]1[c:10]([F:40])[c:11]([CH:15]2[CH:16]([C:37](=[O:38])[NH:41][c:42]3[cH:43][c:44](=[O:49])[n:45]([CH3:48])[cH:46][cH:47]3)[NH:17][CH:18]([CH2:30][C:31]([CH2:32][CH2:33][OH:34])([CH3:35])[CH3:36])[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

8

Reactant 7

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 133780004-Amino-1-methylpyridin-2-oneHCID 66666420HCID 66666420, compound

Product 1

HCID 72243985rac-(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-methyl-2-oxo-1,2-dihydro-pyridin-4-yl)-amide

Sources & evidence

ORD record
ord-dbb9d2bd1b154bbc8228565434b0e5a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…