Potassium Cation → (2RS,4SR,5SR)-3-{3-[2-(2-tert-butoxycarbonyl-4-(3,3-dimethylpiperidinocarbonyl)-5-phenyl-1-pyrrolidinyl)-2-oxoethyl]ureido}benzoic acid

HRID 185186Notes

Reaction equation

HRID 185186 reaction equation
[CH3:1][C:2]1([CH3:46])[CH2:3][N:4]([C:8](=[O:9])[CH:10]2[CH2:11][CH:12]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[N:13]([C:21]([CH2:22][NH:23][C:24](=[O:25])[NH:26][c:27]3[cH:28][c:29]([C:33](=[O:34])[O:35][CH2:36][CH3:37])[cH:30][cH:31][cH:32]3)=[O:38])[CH:14]2[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:5][CH2:6][CH2:7]1.[CH3:50][OH:51].[K+:48].[OH-:47].[OH2:49]>>[CH3:1][C:2]1([CH3:46])[CH2:3][N:4]([C:8](=[O:9])[CH:10]2[CH2:11][CH:12]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[N:13]([C:21]([CH2:22][NH:23][C:24](=[O:25])[NH:26][c:27]3[cH:28][c:29]([C:33](=[O:34])[OH:35])[cH:30][cH:31][cH:32]3)=[O:38])[CH:14]2[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:5][CH2:6][CH2:7]1

Participants

6

Reactant 5

HCID 813Potassium CationHCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 86751922tert-butyl (2RS,4SR,5SR)-4-(3,3-dimethylpiperidinocarbonyl)-1-{2-[3-(3-(ethoxycarbonyl)phenyl]ureido]acetyl}-5-phenylpyrrolidine-2-carboxylate

Product 1

HCID 19709672(2RS,4SR,5SR)-3-{3-[2-(2-tert-butoxycarbonyl-4-(3,3-dimethylpiperidinocarbonyl)-5-phenyl-1-pyrrolidinyl)-2-oxoethyl]ureido}benzoic acid

Sources & evidence

ORD record
ord-c0fbb63024824889baff391526e597fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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