Fluoride Ion → 1-(2-{4-[2-(2,5-Difluoro-phenyl)-6-methoxy-naphthalen-1-ylmethyl]-phenoxy}-ethyl)-piperidine

HRID 201482Notes

Reaction equation

HRID 201482 reaction equation
[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.[Cs+:49].[F-:48].[F:37][c:38]1[c:39]([B:45]([OH:46])[OH:47])[cH:40][c:41]([F:44])[cH:42][cH:43]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[cH:6][cH:7][c:8](-[c:39]3[c:38]([F:37])[cH:43][cH:42][c:41]([F:44])[cH:40]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

5

Reactant 4

HCID 28179Fluoride IonHCID 104967Cesium cationHCID 2734335(2,5-Difluorophenyl)boronic acidHCID 57552542Trifluoromethanesulfonic acid 6-methoxy-1-[4-(2-piperidin-yl-ethoxy)-benzyl]-naphthalen-2-yl ester

Product 1

HCID 575525571-(2-{4-[2-(2,5-Difluoro-phenyl)-6-methoxy-naphthalen-1-ylmethyl]-phenoxy}-ethyl)-piperidine

Sources & evidence

ORD record
ord-5a3aee2e99564b1185f6e1fb474e9b51
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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