Dichlorophen → [4-Chloro-2-(5-chloro-2-hydroxy-benzyl)-phenoxy]-acetic acid benzyl ester

HRID 1240869Notes

Reaction equation

HRID 1240869 reaction equation
[CH2:1]([c:2]1[c:3]([OH:9])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1)[c:10]1[c:11]([OH:17])[cH:12][cH:13][c:14]([Cl:16])[cH:15]1.[CH2:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[O:31][C:32]([CH2:33][Br:34])=[O:35].[Li+:18].[Li+:19].[O-:20][C:21](=[O:22])[O-:23].[O:36]=[CH:37][N:38]([CH3:39])[CH3:40]>>[CH2:1]([c:2]1[c:3]([OH:9])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1)[c:10]1[c:11]([O:17][CH2:33][C:32]([O:31][CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)=[O:35])[cH:12][cH:13][c:14]([Cl:16])[cH:15]1

Participants

6

Reactant 5

HCID 3037DichlorophenHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 28486Lithium ion2×HCID 62576Benzyl bromoacetate

Product 1

HCID 68450956[4-Chloro-2-(5-chloro-2-hydroxy-benzyl)-phenoxy]-acetic acid benzyl ester

Sources & evidence

ORD record
ord-377a33c08dc148f08e63365d8e12a997
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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