Hydrochloric Acid → 3-[[4-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-3-phenylpiperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one

HRID 116689Notes

Reaction equation

HRID 116689 reaction equation
[C:30](=[O:31])([O-:32])[O-:33].[Cl:36][CH2:37][c:38]1[nH:39][c:40](=[O:43])[nH:41][n:42]1.[ClH:1].[F:2][C:3]([c:4]1[cH:5][c:6]([CH2:7][O:8][CH:9]2[CH:10]([c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[CH2:11][NH:12][CH2:13][CH2:14]2)[cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]1)([F:28])[F:29].[K+:34].[K+:35].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[OH2:49]>>[F:2][C:3]([c:4]1[cH:5][c:6]([CH2:7][O:8][CH:9]2[CH:10]([c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[CH2:11][N:12]([CH2:37][c:38]3[nH:39][c:40](=[O:43])[nH:41][n:42]3)[CH2:13][CH2:14]2)[cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]1)([F:28])[F:29]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 116327724-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-3-phenylpiperidineHCID 1355466853H-1,2,4-Triazol-3-one, 5-(chloromethyl)-1,2-dihydro-

Product 1

HCID 1364104533-[[4-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-3-phenylpiperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one

Sources & evidence

ORD record
ord-fbeb1b8d32ac490a9558c2dcd198b2ba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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