Acetone → 1-(3,4,5-Trimethoxybenzoyl)-3-phenyl-3-(2-hydroxyethyl)pyrrolidine

HRID 295936Notes

Reaction equation

HRID 295936 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[cH:55][c:56]([C:57](=[O:58])[Cl:59])[cH:60][c:61]([O:65][CH3:66])[c:62]1[O:63][CH3:64].[CH3:67][C:68](=[O:69])[CH3:70].[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:57]([c:56]3[cH:55][c:54]([O:53][CH3:52])[c:62]([O:63][CH3:64])[c:61]([O:65][CH3:66])[cH:60]3)=[O:58])[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 78282Benzoyl chloride, 3,4,5-trimethoxy-HCID 184645642-(3-Phenylpyrrolidin-3-yl)ethanolHCID 534427013-Hydroxy-2-(4-methoxybenzoyl)-2-(4-methoxybenzoyl)oxybutanedioic acid

Product 1

HCID 184649591-(3,4,5-Trimethoxybenzoyl)-3-phenyl-3-(2-hydroxyethyl)pyrrolidine

Sources & evidence

ORD record
ord-7271cea60cc74ba98e924d24fc569dff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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