Chloride → 2-Phenyl-1-oxaspiro[2.5]octane

HRID 168547

Reaction equation

HRID 168547 reaction equation
[CH2:15]([S+:16]1[CH2:17][CH2:18][CH2:19][CH2:20]1)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[CH2:9]1[CH2:10][S:11][CH2:12][CH2:13]1.[CH3:36][OH:37].[Cl-:14].[Cl:1][CH2:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1.[K+:28].[O:29]=[C:30]1[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]1.[OH-:27].[OH2:38]>>[CH:2]1([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[O:29][C:30]12[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2

Participants

10

Reactant 9

HCID 312ChlorideHCID 813Potassium CationHCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 1127TetrahydrothiopheneHCID 7503Benzyl ChlorideHCID 7967CyclohexanoneHCID 4982191-Benzylthiolan-1-ium

Product 1

HCID 2548142-Phenyl-1-oxaspiro[2.5]octane

Sources & evidence

ORD record
ord-33df1bb2449142cb97512e2bb6c29c08
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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