Dichloromethane → Rac-(2r,3r,4r,5s)-3-(3-chloro-phenyl)-4-(4-chloro-phenyl)-4-cyano-5-isobutyl-pyrrolidine-2-carboxylic acid(3-hydroxy-propyl)-amide

HRID 305437Notes

Reaction equation

HRID 305437 reaction equation
[CH:65]([N:66]([CH2:67][CH3:68])[CH:69]([CH3:70])[CH3:71])([CH3:72])[CH3:73].[Cl:74][CH2:75][Cl:76].[Cl:8][c:9]1[cH:10][c:11]([CH:15]2[CH:16]([C:33](=[O:34])[OH:35])[NH:17][CH:18]([CH2:29][CH:30]([CH3:31])[CH3:32])[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].[NH2:36][CH2:37][CH2:38][CH2:39][OH:40].[P-:41]([F:42])([F:43])([F:44])([F:45])([F:46])[F:47].[n:48]1([O:49][C:50]([N:51]([CH3:52])[CH3:53])=[N+:54]([CH3:55])[CH3:56])[c:57]2[n:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[Cl:8][c:9]1[cH:10][c:11]([CH:15]2[CH:16]([C:33](=[O:35])[NH:36][CH2:37][CH2:38][CH2:39][OH:40])[NH:17][CH:18]([CH2:29][CH:30]([CH3:31])[CH3:32])[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 90863-Amino-1-propanolHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 672970393-(3-Chlorophenyl)-4-(4-chlorophenyl)-4-cyano-5-(2-methylpropyl)pyrrolidine-2-carboxylic acid

Product 1

HCID 75095857Rac-(2r,3r,4r,5s)-3-(3-chloro-phenyl)-4-(4-chloro-phenyl)-4-cyano-5-isobutyl-pyrrolidine-2-carboxylic acid(3-hydroxy-propyl)-amide

Sources & evidence

ORD record
ord-18cec9a4d74149df92a0454487309fd5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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