Sodium ion → 5-Methyl-6-ethoxycarbonyl-8-chlorothiochroman-4-one

HRID 301952Notes

Reaction equation

HRID 301952 reaction equation
[Cl:1][c:2]1[c:3]([S:14][CH2:15][CH2:16][C:17](=[O:18])[OH:19])[cH:4][c:5]([CH3:13])[c:6]([C:8](=[O:9])[O:10][CH2:11][CH3:12])[cH:7]1.[Na+:34].[Na+:35].[O-:36][C:37](=[O:38])[O-:39].[O:20]=[P:21]12[O:22][P:23]3(=[O:33])[O:24][P:25](=[O:31])([O:26][P:27](=[O:30])([O:28]3)[O:29]1)[O:32]2>>[Cl:1][c:2]1[c:3]2[c:4]([c:5]([CH3:13])[c:6]([C:8](=[O:9])[O:10][CH2:11][CH3:12])[cH:7]1)[C:17](=[O:19])[CH2:16][CH2:15][S:14]2

Participants

5

Reactant 4

HCID 923Sodium ion2×HCID 14812Phosphorus oxide (P4O10)HCID 19660Carbonate IonHCID 109903143-(2-Chloro-4-ethoxycarbonyl-5-methylphenylthio)propionic acid

Product 1

HCID 109021585-Methyl-6-ethoxycarbonyl-8-chlorothiochroman-4-one

Sources & evidence

ORD record
ord-efb00f962dea41b9b0ed2e248ce9b135
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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