Hydrochloric Acid → 1-{5-[5-(4-Chlorophenyl)pyridin-2-ylethynyl]-2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl}-2,2,2-trifluoroethanol

HRID 156254Notes

Reaction equation

HRID 156254 reaction equation
[C:45](=[O:46])([O-:47])[O-:48].[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:1][Si:2]([C:3]([F:4])([F:5])[F:6])([CH3:7])[CH3:8].[Cl:9][c:10]1[cH:11][cH:12][c:13](-[c:16]2[cH:17][cH:18][c:19]([C:22]#[C:23][c:24]3[cH:25][cH:26][c:27]([O:32][CH2:33][CH2:34][N:35]4[CH2:36][CH2:37][CH:38]([CH3:41])[CH2:39][CH2:40]4)[c:28]([CH:29]=[O:30])[cH:31]3)[n:20][cH:21]2)[cH:14][cH:15]1.[ClH:44].[Cs+:43].[F-:42].[K+:49].[K+:50]>>[C:3]([F:4])([F:5])([F:6])[CH:29]([c:28]1[c:27]([O:32][CH2:33][CH2:34][N:35]2[CH2:36][CH2:37][CH:38]([CH3:41])[CH2:39][CH2:40]2)[cH:26][cH:25][c:24]([C:23]#[C:22][c:19]2[cH:18][cH:17][c:16](-[c:13]3[cH:12][cH:11][c:10]([Cl:9])[cH:15][cH:14]3)[cH:21][n:20]2)[cH:31]1)[OH:30]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 28179Fluoride IonHCID 104967Cesium cationHCID 552549(Trifluoromethyl)trimethylsilaneHCID 86601135HCID 86601135, compound

Product 1

HCID 578452971-{5-[5-(4-Chlorophenyl)pyridin-2-ylethynyl]-2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl}-2,2,2-trifluoroethanol

Sources & evidence

ORD record
ord-94db32d8575644b6940c7298394e9f78
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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