Hydrochloric Acid → Hydrochloric Acid

HRID 176151Notes

Reaction equation

HRID 176151 reaction equation
[C:17](=[O:18])([O-:19])[O-:20].[CH3:39][CH2:40][O:41][C:42]([CH3:43])=[O:44].[CH3:45][CH2:46][O:47][CH2:48][CH3:49].[CH3:50][C:51](=[O:52])[CH2:53][CH3:54].[Cl:25][CH2:26][CH2:27][CH2:28][C:29](=[O:30])[c:31]1[cH:32][cH:33][c:34]([F:37])[cH:35][cH:36]1.[ClH:1].[ClH:38].[F:2][c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[CH2:12][CH:13]2[CH2:14][NH:15][CH2:16]2)[cH:7][cH:8]1.[I-:24].[K+:21].[K+:22].[Na+:23]>>[ClH:25].[F:2][c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[CH2:12][CH:13]2[CH2:14][N:15]([CH2:26][CH2:27][CH2:28][C:29](=[O:30])[c:31]3[cH:32][cH:33][c:34]([F:37])[cH:35][cH:36]3)[CH2:16]2)[cH:7][cH:8]1

Participants

12

Reactant 10

HCID 313Hydrochloric Acid2×HCID 813Potassium Cation2×HCID 923Sodium ionHCID 3283Diethyl EtherHCID 6569Methyl Ethyl KetoneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 197503-(4-Fluorobenzoyl)propyl chlorideHCID 30165Iodide IonHCID 219783943-[(4-Fluorophenyl)sulfonylmethyl]azetidine

Product 2

HCID 313Hydrochloric AcidHCID 114635141-(4-Fluorophenyl)-4-[3-[(4-fluorophenyl)sulfonylmethyl]azetidin-1-yl]butan-1-one

Sources & evidence

ORD record
ord-8abde09efe2c4ad98ba281ac56db9c0d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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