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

HRID 687348Notes

Reaction equation

HRID 687348 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.[CH3:51][O:52][c:53]1[cH:54][c:55]([C:56](=[O:57])[Cl:58])[cH:59][c:60]([O:64][CH3:65])[c:61]1[O:62][CH3:63].[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[Na+:45].[Na+:46].[O-:47][C:48](=[O:49])[O-:50].[OH2:72].[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[cH:54][c:53]([O:52][CH3:51])[c:61]([O:62][CH3:63])[c:60]([O:64][CH3:65])[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 923Sodium ion2×HCID 962WaterHCID 8857Ethyl AcetateHCID 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-5feac80e06234032a1ca9f07916a55a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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