Ethanol → 1,1-dioxo-5-phenylspiro[4,5-dihydro-2H-1lambda6-benzothiepine-3,1'-cyclohexane]-4-ol

Reaction equation

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

Participants

Reactant 4

HCID 702Ethanol

HCID 6344Dichloromethane

HCID 223252128b-Phenyl-1a,2,3,8b-tetrahydrospiro(benzothiepino[4,5-b]oxirene-2,1'-cyclohexane)-4,4-dioxide

HCID 178418361HCID 178418361, compound

Product 1

HCID 223252601,1-dioxo-5-phenylspiro[4,5-dihydro-2H-1lambda6-benzothiepine-3,1'-cyclohexane]-4-ol

Sources & evidence

ORD record: ord-e130122da418453d912ebe1d43f55a76
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…