Acetonitrile → [4-(2-Azepan-1-yl-ethoxy)-phenyl]-[2-(2-fluoro-phenyl)-6-methoxy-naphthalen-1-yl]methanone

HRID 956777Notes

Reaction equation

HRID 956777 reaction equation
[BH:39]([OH:40])[OH:41].[CH3:51][C:52]#[N:53].[Cs+:50].[F-:49].[F:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[N:1]1([CH2:8][CH2:9][O:10][c:11]2[cH:12][cH:13][c:14]([C:15](=[O:16])[c:17]3[c:18]([O:29][S:30]([C:31]([F:32])([F:33])[F:34])(=[O:35])=[O:36])[cH:19][cH:20][c:21]4[cH:22][c:23]([O:27][CH3:28])[cH:24][cH:25][c:26]34)[cH:37][cH:38]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1>>[N:1]1([CH2:8][CH2:9][O:10][c:11]2[cH:12][cH:13][c:14]([C:15](=[O:16])[c:17]3[c:18](-[c:44]4[c:43]([F:42])[cH:48][cH:47][cH:46][cH:45]4)[cH:19][cH:20][c:21]4[cH:22][c:23]([O:27][CH3:28])[cH:24][cH:25][c:26]34)[cH:37][cH:38]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 10008FluorobenzeneHCID 28179Fluoride IonHCID 61668Boronic AcidHCID 104967Cesium cationHCID 57552509Trifluoromethanesulfonic acid 1-[4-(2-azepan-1-yl-ethoxy)-benzoyl]-6-methoxynaphthalen-2-yl ester

Product 1

HCID 57552551[4-(2-Azepan-1-yl-ethoxy)-phenyl]-[2-(2-fluoro-phenyl)-6-methoxy-naphthalen-1-yl]methanone

Sources & evidence

ORD record
ord-0182e4629a064a2a98d86b5354efa82e
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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