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Sodium Ion → 2-{5-Methoxy-2-methyl-4-[5-(4-trifluoromethoxy-phenyl)-pent-4-ynyloxy]-phenoxy}-2-methyl-propionic acid methyl ester

HRID 1548212
Notes
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Reaction equation

HRID 1548212 reaction equation
[C:42](=[O:43])([O-:44])[O-:45].[CH3:1][O:2][C:3]([C:4]([CH3:5])([CH3:6])[O:7][c:8]1[c:9]([CH3:17])[cH:10][c:11]([OH:16])[c:12]([O:14][CH3:15])[cH:13]1)=[O:18].[CH3:48][C:49]#[N:50].[Cs+:46].[Cs+:47].[F:19][C:20]([O:21][c:22]1[cH:23][cH:24][c:25]([C:28]#[C:29][CH2:30][CH2:31][CH2:32][O:33][S:34]([CH3:35])(=[O:36])=[O:37])[cH:26][cH:27]1)([F:38])[F:39].[I-:40].[Na+:41]>>[CH3:1][O:2][C:3]([C:4]([CH3:5])([CH3:6])[O:7][c:8]1[c:9]([CH3:17])[cH:10][c:11]([O:16][CH2:32][CH2:31][CH2:30][C:29]#[C:28][c:25]2[cH:24][cH:23][c:22]([O:21][C:20]([F:19])([F:38])[F:39])[cH:27][cH:26]2)[c:12]([O:14][CH3:15])[cH:13]1)=[O:18]
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 923Sodium IonHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 30165Iodide IonHCID 104967Cesium cation2×HCID 11616756Methanesulfonic acid 5-(4-trifluoromethoxy-phenyl)-pent-4-ynyl ester
HCID 67403231
2-(4-Hydroxy-5-methoxy-2-methyl-phenoxy)-2-methyl-propionic acid methyl ester

Product 1

HCID 694587952-{5-Methoxy-2-methyl-4-[5-(4-trifluoromethoxy-phenyl)-pent-4-ynyloxy]-phenoxy}-2-methyl-propionic acid methyl ester

Sources & evidence

ORD record
ord-598f567cca004691bd158f784a427f8b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes