Benzene → HCID 54009290, compound

HRID 1545302Notes

Reaction equation

HRID 1545302 reaction equation
[Br:1][c:2]1[c:3]([OH:25])[c:4]([CH2:23][CH3:24])[cH:5][c:6](-[c:8]2[c:9]3[cH:10][cH:11][cH:12][cH:13][c:14]3[cH:15][c:16]3[o:17][c:18]([CH3:22])[c:19]([CH3:21])[c:20]23)[cH:7]1.[Br:28][CH2:29][CH2:30][CH2:31][C:32]([OH:33])=[O:34].[C:43](=[O:44])([O-:45])[O-:46].[CH3:35][O:36][C:37]([CH2:38][CH2:39][CH2:40][Br:41])=[O:42].[H-:26].[K+:47].[K+:48].[Na+:27].[cH:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[Br:1][c:2]1[c:3]([O:25][CH2:40][CH2:39][CH2:38][C:37]([O:36][CH3:35])=[O:42])[c:4]([CH2:23][CH3:24])[cH:5][c:6](-[c:8]2[c:9]3[cH:10][cH:11][cH:12][cH:13][c:14]3[cH:15][c:16]3[o:17][c:18]([CH3:22])[c:19]([CH3:21])[c:20]23)[cH:7]1

Participants

9

Reactant 8

HCID 241BenzeneHCID 813Potassium Cation2×HCID 923Sodium ionHCID 19660Carbonate IonHCID 758094-Bromobutyric acidHCID 107604Methyl 4-bromobutyrateHCID 166653HydrideHCID 101787952-bromo-4-(2,3-dimethyl-naphtho[2,3-b]furan-4-yl)-6-ethyl-phenol

Product 1

HCID 54009290HCID 54009290, compound

Sources & evidence

ORD record
ord-1c6b9653d9684d909e1d5d4610ec6793
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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