Acetonitrile → [6-Benzyloxy-2-(2,4-difluoro-phenyl)-naphthalen-1-yl]-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-methanone

HRID 683613Notes

Reaction equation

HRID 683613 reaction equation
[Br:46][c:47]1[c:48]([F:54])[cH:49][c:50]([F:53])[cH:51][cH:52]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]2[cH:12][cH:13][c:14]([O:36][S:37]([C:38]([F:39])([F:40])[F:41])(=[O:42])=[O:43])[c:15]([C:19]([c:20]3[cH:21][cH:22][c:23]([O:26][CH2:27][CH2:28][N:29]4[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]4)[cH:24][cH:25]3)=[O:35])[c:16]2[cH:17][cH:18]1.[CH3:55][C:56]#[N:57].[Cs+:45].[F-:44]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]2[cH:12][cH:13][c:14](-[c:47]3[c:48]([F:54])[cH:49][c:50]([F:53])[cH:51][cH:52]3)[c:15]([C:19]([c:20]3[cH:21][cH:22][c:23]([O:26][CH2:27][CH2:28][N:29]4[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]4)[cH:24][cH:25]3)=[O:35])[c:16]2[cH:17][cH:18]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 28179Fluoride IonHCID 676741-Bromo-2,4-difluorobenzeneHCID 104967Cesium cationHCID 57552555Trifluoromethanesulfonic acid 6-benzyloxy-1-[4-(2-piperidin-1-yl-ethoxy)-benzoyl]-naphthalen-2-yl ester

Product 1

HCID 57552519[6-Benzyloxy-2-(2,4-difluoro-phenyl)-naphthalen-1-yl]-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-methanone

Sources & evidence

ORD record
ord-438f655c3baf44a5b0127a5cca43175c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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