Hydrochloric Acid → 1-(3-(2-(1-Benzothiophene-3-yl)ethoxy)propyl)-3-azetidinol

HRID 1574364Notes

Reaction equation

HRID 1574364 reaction equation
[C:29](=[O:30])([O-:31])[O-:32].[CH3:36][S:37](=[O:38])[CH3:39].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[Cl:1][CH2:2][CH2:3][CH2:4][O:5][CH2:6][CH2:7][c:8]1[cH:9][s:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2.[ClH:35].[F:17][C:18]([F:19])([F:20])[C:21]([OH:22])=[O:23].[K+:33].[K+:34].[NH:24]1[CH2:25][CH:26]([OH:28])[CH2:27]1.[OH2:46]>>[CH2:2]([CH2:3][CH2:4][O:5][CH2:6][CH2:7][c:8]1[cH:9][s:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2)[N:24]1[CH2:25][CH:26]([OH:28])[CH2:27]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 962WaterHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 15142903-HydroxyazetidineHCID 21990109HCID 21990109, compound

Product 1

HCID 235455601-(3-(2-(1-Benzothiophene-3-yl)ethoxy)propyl)-3-azetidinol

Sources & evidence

ORD record
ord-f7f810718bc54bc3af7a2a13a43e7d45
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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