Potassium Cation → Hydrochloric Acid

HRID 676859Notes

Reaction equation

HRID 676859 reaction equation
[C:32](=[O:33])([O-:34])[O-:35].[CH3:38][n:39]1[n:40][c:41]([CH2:44][Cl:45])[n:42][cH:43]1.[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:13][O:14][CH:15]2[C:16]3([c:23]4[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]4)[CH2:17][CH2:18][CH:19]([CH2:20][CH2:21]2)[NH:22]3)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:30])[F:31].[K+:36].[K+:37].[OH2:46]>>[ClH:45].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:13][O:14][CH:15]2[C:16]3([c:23]4[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]4)[CH2:17][CH2:18][CH:19]([CH2:20][CH2:21]2)[N:22]3[CH2:44][c:41]2[n:40][n:39]([CH3:38])[cH:43][n:42]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:30])[F:31]

Participants

8

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 103744983-(Chloromethyl)-1-methyl-1H-1,2,4-triazoleHCID 880394082-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane

Product 2

HCID 313Hydrochloric AcidHCID 880394202-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-(4-fluorophenyl)-8-[(1-methyl-1,2,4-triazol-3-yl)methyl]-8-azabicyclo[3.2.1]octane

Sources & evidence

ORD record
ord-e243c2473ee542edb3f639310d91d520
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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