Benzene → HCID 178500768, compound

HRID 155907Notes

Reaction equation

[CH:1]1=[CH:2][CH2:3][CH:4]([CH:7]=[CH:8][C:9]([CH2:10][C:11](=[O:12])[O:13][CH3:14])=[O:15])[CH2:5][CH2:6]1.[CH:24]([O:25][CH:26]([CH3:27])[CH3:28])([CH3:29])[CH3:30].[OH:16][c:17]1[cH:18][cH:19][c:20]([NH2:21])[cH:22][cH:23]1.[cH:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[CH:1]1=[CH:2][CH2:3][CH:4]([CH:7]=[CH:8][C:9]([C:10]([C:11](=[O:12])[O:13][CH3:14])=[CH:24][NH:21][c:20]2[cH:19][cH:18][c:17]([OH:16])[cH:23][cH:22]2)=[O:15])[CH2:5][CH2:6]1

Participants

Reactant 4

HCID 241Benzene

HCID 4034-Aminophenol

HCID 7914Diisopropyl Ether

HCID 57308750Methyl 5-(cyclohexen-4-yl)-3-oxo-4-pentenoate

Product 1

HCID 178500768HCID 178500768, compound

Sources & evidence

ORD record: ord-8c5684ffe9464bbdbd02a8100df26dc0
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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