Hydrochloric Acid → 4-Cyano-4-[3-cyclopentyloxy-4-(4-fluorobenzyloxy)phenyl)cyclohexan-1-one

HRID 120319Notes

Reaction equation

HRID 120319 reaction equation
[C:1](#[N:2])[C:3]1([c:10]2[cH:11][c:12]([O:18][CH:19]3[CH2:20][CH2:21][CH2:22][CH2:23]3)[c:13]([O:16][CH3:17])[cH:14][cH:15]2)[CH2:4][CH2:5][C:6](=[O:9])[CH2:7][CH2:8]1.[C:41](=[O:42])([O-:43])[O-:44].[CH3:47][OH:48].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[ClH:24].[F:32][c:33]1[cH:34][cH:35][c:36]([CH2:37][Br:38])[cH:39][cH:40]1.[K+:45].[K+:46].[OH2:49].[OH:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[C:1](#[N:2])[C:3]1([c:10]2[cH:11][c:12]([O:18][CH:19]3[CH2:20][CH2:21][CH2:22][CH2:23]3)[c:13]([O:16][CH2:17][c:36]3[cH:35][cH:34][c:33]([F:32])[cH:40][cH:39]3)[cH:14][cH:15]2)[CH2:4][CH2:5][C:6](=[O:9])[CH2:7][CH2:8]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 887MethanolHCID 962WaterHCID 996PhenolHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 680214-Fluorobenzyl bromideHCID 9861604SB-200473

Product 1

HCID 152952054-Cyano-4-[3-cyclopentyloxy-4-(4-fluorobenzyloxy)phenyl)cyclohexan-1-one

Sources & evidence

ORD record
ord-6c2082e33eb94f3fadc0fb54e110876c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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