Dichloromethane → Rac-(2r,3s,4r,5s)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid(2-acetylamino-ethyl)-amide

HRID 2348204Notes

Reaction equation

HRID 2348204 reaction equation
[C:38]([CH3:39])(=[O:40])[NH:41][CH2:42][CH2:43][NH2:44].[CH:69]([N:70]([CH2:71][CH3:72])[CH:73]([CH3:74])[CH3:75])([CH3:76])[CH3:77].[Cl:78][CH2:79][Cl:80].[Cl:8][c:9]1[c:10]([F:37])[c:11]([CH:15]2[CH:16]([C:34](=[O:35])[OH:36])[NH:17][CH:18]([CH2:29][C:30]([CH3:31])([CH3:32])[CH3:33])[C:19]2([C:20]#[N:21])[c:22]2[cH:23][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].[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:8][c:9]1[c:10]([F:37])[c:11]([CH:15]2[CH:16]([C:34](=[O:36])[NH:44][CH2:43][CH2:42][NH:41][C:38]([CH3:39])=[O:40])[NH:17][CH:18]([CH2:29][C:30]([CH3:31])([CH3:32])[CH3:33])[C:19]2([C:20]#[N:21])[c:22]2[cH:23][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 66082N-(2-aminoethyl)acetamideHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 686186553-(3-Chloro-2-fluorophenyl)-4-(4-chlorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid

Product 1

HCID 75096003Rac-(2r,3s,4r,5s)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid(2-acetylamino-ethyl)-amide

Sources & evidence

ORD record
ord-f7ac083656d24a98b0fb007e9365ee11
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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