Benzene, 1-bromo-3-iodo- → 3-[4-(3-Bromo-phenoxy)-2-methyl-phenyl]-propionic acid methyl ester

HRID 102841

Reaction equation

HRID 102841 reaction equation
[Br:15][c:16]1[cH:17][c:18]([I:22])[cH:19][cH:20][cH:21]1.[C:23](=[O:24])([O-:25])[O-:26].[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[c:7]([CH3:13])[cH:8][c:9]([OH:12])[cH:10][cH:11]1)=[O:14].[CH3:29][C:30]([CH3:31])([C:32](=[O:33])[CH2:34][C:35](=[O:36])[C:37]([CH3:38])([CH3:39])[CH3:40])[CH3:41].[CH3:42][N:43]1[CH2:44][CH2:45][CH2:46][C:47]1=[O:48].[Cl:49][Cu:50].[Cs+:27].[Cs+:28]>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[c:7]([CH3:13])[cH:8][c:9]([O:12][c:18]2[cH:17][c:16]([Br:15])[cH:21][cH:20][cH:19]2)[cH:10][cH:11]1)=[O:14]

Participants

8

Reactant 7

HCID 11561Benzene, 1-bromo-3-iodo-HCID 13387N-methyl-2-pyrrolidoneHCID 19660Carbonate IonHCID 62652Cuprous chlorideHCID 707002,2,6,6-Tetramethyl-3,5-heptanedioneHCID 104967Cesium cation2×HCID 13551833Methyl 3-(4-Hydroxy-2-methylphenyl)propanoate

Product 1

HCID 578941923-[4-(3-Bromo-phenoxy)-2-methyl-phenyl]-propionic acid methyl ester

Sources & evidence

ORD record
ord-e75375bbff974d948bada562b9dc22a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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