Dichloromethane → rac-(2R,3R,4R,5S)-3-(3-chloro-phenyl)-4-(4-chloro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid [3-(1-acetyl-piperidin-4-ylamino)-propyl]-amide

HRID 1201156Notes

Reaction equation

HRID 1201156 reaction equation
[C:34]([CH3:35])(=[O:36])[N:37]1[CH2:38][CH2:39][CH:40]([C:43]([OH:44])=[O:45])[CH2:41][CH2:42]1.[CH:70]([N:71]([CH2:72][CH3:73])[CH:74]([CH3:75])[CH3:76])([CH3:77])[CH3:78].[Cl:79][CH2:80][Cl:81].[NH2:1][CH2:2][CH2:3][CH2:4][NH:5][C:6](=[O:7])[CH:8]1[NH:9][CH:10]([CH2:29][C:30]([CH3:31])([CH3:32])[CH3:33])[C:11]([C:20]#[N:21])([c:22]2[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]2)[CH:12]1[c:13]1[cH:14][c:15]([Cl:19])[cH:16][cH:17][cH:18]1.[P-:46]([F:47])([F:48])([F:49])([F:50])([F:51])[F:52].[n:53]1([O:54][C:55]([N:56]([CH3:57])[CH3:58])=[N+:59]([CH3:60])[CH3:61])[c:62]2[n:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]1>>[NH:1]([CH2:2][CH2:3][CH2:4][NH:5][C:6](=[O:7])[CH:8]1[NH:9][CH:10]([CH2:29][C:30]([CH3:31])([CH3:32])[CH3:33])[C:11]([C:20]#[N:21])([c:22]2[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]2)[CH:12]1[c:13]1[cH:14][c:15]([Cl:19])[cH:16][cH:17][cH:18]1)[CH:40]1[CH2:39][CH2:38][N:37]([C:34]([CH3:35])=[O:36])[CH2:42][CH2:41]1

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 1172551-Acetylpiperidine-4-carboxylic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 75095855Rac-(2r,3r,4r,5s)-3-(3-chloro-phenyl)-4-(4-chloro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid(3-amino-propyl)-amide

Product 1

HCID 75095856rac-(2R,3R,4R,5S)-3-(3-chloro-phenyl)-4-(4-chloro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid [3-(1-acetyl-piperidin-4-ylamino)-propyl]-amide

Sources & evidence

ORD record
ord-af1172792f1b41bc9b411a4adf557c91
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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