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

HRID 1208980Notes

Reaction equation

HRID 1208980 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[c:54]([C:55](=[O:56])[Cl:57])[cH:58][c:59](-[n:62]2[n:63][n:64][n:65][cH:66]2)[cH:60][cH:61]1.[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[Na+:45].[Na+:46].[O-:47][C:48](=[O:49])[O-:50].[OH2:73].[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:55]([c:54]3[c:53]([O:52][CH3:51])[cH:61][cH:60][c:59](-[n:62]4[n:63][n:64][n:65][cH:66]4)[cH:58]3)=[O:56])[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 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-07606b8061554b1f95cacf095e780eba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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