Potassium Cation → Hydrochloric Acid

HRID 1133334Notes

Reaction equation

HRID 1133334 reaction equation
[C:35](=[O:36])([O-:37])[O-:38].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[Cl:16][CH2:17][CH2:18][CH2:19][CH:20]([c:21]1[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]1)[c:28]1[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]1.[I-:42].[K+:39].[K+:40].[K+:41].[NH:1]1[CH2:2][CH2:3][CH:4]([c:7]2[n:8][s:9][c:10]3[c:11]2[cH:12][cH:13][cH:14][cH:15]3)[CH2:5][CH2:6]1.[OH2:43]>>[ClH:16].[N:1]1([CH2:17][CH2:18][CH2:19][CH:20]([c:21]2[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]2)[c:28]2[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]2)[CH2:2][CH2:3][CH:4]([c:7]2[n:8][s:9][c:10]3[c:11]2[cH:12][cH:13][cH:14][cH:15]3)[CH2:5][CH2:6]1

Participants

9

Reactant 7

HCID 813Potassium Cation3×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 30165Iodide IonHCID 768201,1'-(4-Chlorobutylidene)bis(4-fluorobenzene)HCID 133240934-(3-Benzisothiazolyl) piperidine

Product 2

HCID 313Hydrochloric AcidHCID 133240993-[1-[4,4-Bis(4-fluorophenyl)butyl]piperidin-4-yl]-1,2-benzothiazole

Sources & evidence

ORD record
ord-52cdcfa202874ef9ab7a54e467bca58d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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