Hydrochloric Acid → Hydrochloric Acid

HRID 195331Notes

Reaction equation

HRID 195331 reaction equation
[Br:37][CH2:38][CH2:39][OH:40].[C:31](=[O:32])([O-:33])[O-:34].[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[CH3:47][CH2:48][O:49][CH2:50][CH3:51].[ClH:41].[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][cH:26][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:29])[F:30].[K+:35].[K+:36].[OH2:52]>>[ClH:41].[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][cH:26][cH:27][cH:28]4)[CH2:17][CH2:18][CH:19]([CH2:20][CH2:21]2)[N:22]3[CH2:38][CH2:39][OH:40])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:29])[F:30]

Participants

10

Reactant 8

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 108982-BromoethanolHCID 19660Carbonate IonHCID 227245802-(3,5-Bis(trifluoromethyl)benzyloxy)-1-phenyl-8-aza-bicyclo[3.2.1]octane

Product 2

HCID 313Hydrochloric AcidHCID 879506202-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-phenyl-8-azabicyclo[3.2.1]octan-8-yl]ethanol

Sources & evidence

ORD record
ord-7886c2b7e1e54c7995c2febe7022a956
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…