Water → 7-Tert-butyl-8-hydroxy-5-methyl-1,2,3,4,4a,9a-hexahydro-9-fluorenone

Reaction equation

[C:22]([CH3:23])([CH3:24])([CH3:25])[NH:26][C:27]([NH2:28])=[O:29].[OH2:30].[OH:1][c:2]1[cH:3][cH:4][c:5]([CH3:16])[c:6]2[c:14]1[C:13](=[O:15])[CH:12]1[CH:7]2[CH2:8][CH2:9][CH2:10][CH2:11]1.[S:17](=[O:18])(=[O:19])([OH:20])[OH:21]>>[OH:1][c:2]1[c:3]([C:22]([CH3:23])([CH3:24])[CH3:25])[cH:4][c:5]([CH3:16])[c:6]2[c:14]1[C:13](=[O:15])[CH:12]1[CH:7]2[CH2:8][CH2:9][CH2:10][CH2:11]1

Participants

Reactant 4

HCID 962Water

HCID 1118Sulfuric Acid

HCID 14233(1,1-Dimethylethyl)urea

HCID 151571865-Methyl-8-hydroxy-1,2,3,4,4a,9a-hexahydro-9-fluorenone

Product 1

HCID 151571977-Tert-butyl-8-hydroxy-5-methyl-1,2,3,4,4a,9a-hexahydro-9-fluorenone

Sources & evidence

ORD record: ord-2d4ac88db0764228af00eec1aeaaffb3
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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