Hydrochloric Acid → 4-Hydroxy-4-(3-methyl-isothiazol-5-yl)-cyclohexanone

HRID 296545Notes

Reaction equation

HRID 296545 reaction equation
[C:19](=[O:20])([O-:21])[O-:22].[CH3:1][c:2]1[n:3][s:4][c:5]([C:7]2([OH:17])[CH2:8][CH2:9][C:10]3([O:11][CH2:14][CH2:13][O:12]3)[CH2:15][CH2:16]2)[cH:6]1.[CH3:25][CH2:26][O:27][C:28]([CH3:29])=[O:30].[ClH:18].[K+:23].[K+:24].[O:31]1[CH2:32][CH2:33][CH2:34][CH2:35]1.[OH2:36]>>[CH3:1][c:2]1[n:3][s:4][c:5]([C:7]2([OH:17])[CH2:8][CH2:9][C:10](=[O:11])[CH2:15][CH2:16]2)[cH:6]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 59556170HCID 59556170, compound

Product 1

HCID 595561244-Hydroxy-4-(3-methyl-isothiazol-5-yl)-cyclohexanone

Sources & evidence

ORD record
ord-9a1f3fadbff64345a8f059e0ea33bd62
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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