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N-methyl-2-pyrrolidone → 4-Chloro-2-[4-(methylsulfonyl)-2-(trifluoromethyl)phenoxy]-benzeneacetic acid

HRID 122200
Notes
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Reaction equation

HRID 122200 reaction equation
[C:28](=[O:29])([O-:30])[O-:31].[CH3:34][N:35]1[CH2:36][CH2:37][CH2:38][C:39]1=[O:40].[Cl:1][c:2]1[cH:3][c:4]([OH:12])[c:5]([CH2:8][C:9](=[O:10])[OH:11])[cH:6][cH:7]1.[Cs+:32].[Cs+:33].[F:13][c:14]1[c:15]([C:24]([F:25])([F:26])[F:27])[cH:16][c:17]([S:20](=[O:21])(=[O:22])[CH3:23])[cH:18][cH:19]1>>[Cl:1][c:2]1[cH:3][c:4]([O:12][c:14]2[c:15]([C:24]([F:25])([F:26])[F:27])[cH:16][c:17]([S:20](=[O:21])(=[O:22])[CH3:23])[cH:18][cH:19]2)[c:5]([CH2:8][C:9](=[O:10])[OH:11])[cH:6][cH:7]1
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 13387N-methyl-2-pyrrolidoneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 1338254-Chloro-2-hydroxyphenylacetic acidHCID 534159651-Fluoro-4-(methylsulfonyl)-2-(trifluoromethyl)benzene

Product 1

HCID 11625672
4-Chloro-2-[4-(methylsulfonyl)-2-(trifluoromethyl)phenoxy]-benzeneacetic acid

Sources & evidence

ORD record
ord-89b4cec0d2e9443b83de0bd8bde817c0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes