Acetone → 1-(2-methoxy-5-(1H-tetrazol-1-yl)benzoyl)-3-phenyl-3-(2-hydroxyethyl)pyrrolidine

HRID 2342734Notes

Reaction equation

HRID 2342734 reaction equation
[C:1]([O:2][C:3]([C:4](=[O:5])[c:6]1[cH:7][cH:8][c:9]([O:10][CH3:11])[cH:12][cH:13]1)([CH:14]([C:15]([OH:16])=[O:17])[OH:18])[C:19]([OH:20])=[O:21])(=[O:22])[c:23]1[cH:24][cH:25][c:26]([O:27][CH3:28])[cH:29][cH:30]1.[C:46](=[O:47])([O-:48])[O-:49].[CH3:52][O:53][c:54]1[c:55]([C:56](=[O:57])[Cl:58])[cH:59][c:60](-[n:63]2[n:64][n:65][n:66][cH:67]2)[cH:61][cH:62]1.[CH3:68][C:69](=[O:70])[CH3:71].[K+:50].[K+:51].[OH2:45].[c:31]1([C:37]2([CH2:42][CH2:43][OH:44])[CH2:38][NH:39][CH2:40][CH2:41]2)[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[c:31]1([C:37]2([CH2:42][CH2:43][OH:44])[CH2:38][N:39]([C:56]([c:55]3[c:54]([O:53][CH3:52])[cH:62][cH:61][c:60](-[n:63]4[n:64][n:65][n:66][cH:67]4)[cH:59]3)=[O:57])[CH2:40][CH2:41]2)[cH:32][cH:33][cH:34][cH:35][cH:36]1

Participants

8

Reactant 7

HCID 180AcetoneHCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 153920222-Methoxy-5-(1H-tetrazol-1-yl)benzoyl ChlorideHCID 184645642-(3-Phenylpyrrolidin-3-yl)ethanolHCID 534427013-Hydroxy-2-(4-methoxybenzoyl)-2-(4-methoxybenzoyl)oxybutanedioic acid

Product 1

HCID 184644561-(2-methoxy-5-(1H-tetrazol-1-yl)benzoyl)-3-phenyl-3-(2-hydroxyethyl)pyrrolidine

Sources & evidence

ORD record
ord-5eae8ad8f54e4fc7baa49d0dd6de7eb4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…