Acetonitrile → 1-(2-{4-[6-Methoxy-2-(2,3,4,5-tetrafluoro-phenyl)-naphthalen-1-ylmethyl]-phenoxy}-ethyl)-piperidine

HRID 1216368Notes

Reaction equation

HRID 1216368 reaction equation
[Br:39][c:40]1[c:41]([F:49])[c:42]([F:48])[c:43]([F:47])[c:44]([F:46])[cH:45]1.[CH3:1][O:2][c:3]1[cH:4][c:5]2[cH:6][cH:7][c:8]([O:29][S:30]([C:31]([F:32])([F:33])[F:34])(=[O:35])=[O:36])[c:9]([CH2:13][c:14]3[cH:15][cH:16][c:17]([O:20][CH2:21][CH2:22][N:23]4[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]4)[cH:18][cH:19]3)[c:10]2[cH:11][cH:12]1.[CH3:50][C:51]#[N:52].[Cs+:38].[F-:37]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[cH:6][cH:7][c:8](-[c:40]3[c:41]([F:49])[c:42]([F:48])[c:43]([F:47])[c:44]([F:46])[cH:45]3)[c:9]([CH2:13][c:14]3[cH:15][cH:16][c:17]([O:20][CH2:21][CH2:22][N:23]4[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]4)[cH:18][cH:19]3)[c:10]2[cH:11][cH:12]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 28179Fluoride IonHCID 661771-Bromo-2,3,4,5-tetrafluorobenzeneHCID 104967Cesium cationHCID 57552542Trifluoromethanesulfonic acid 6-methoxy-1-[4-(2-piperidin-yl-ethoxy)-benzyl]-naphthalen-2-yl ester

Product 1

HCID 113868881-(2-{4-[6-Methoxy-2-(2,3,4,5-tetrafluoro-phenyl)-naphthalen-1-ylmethyl]-phenoxy}-ethyl)-piperidine

Sources & evidence

ORD record
ord-6ad8939d91664ec6855fcd1c64beccae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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