Sodium ion → 1,1-Dimethylethyl 3-(5-{5-[3-cyano-4-(3-fluoro-1-pyrrolidinyl)phenyl]-1,2,4-oxadiazol-3-yl}-1-isoquinolinyl)propanoate

HRID 314814Notes

Reaction equation

HRID 314814 reaction equation
[C:9](#[N:10])[c:11]1[cH:12][c:13](-[c:18]2[n:19][c:20](-[c:23]3[c:24]4[cH:25][cH:26][n:27][c:28]([CH2:33][CH2:34][C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[c:29]4[cH:30][cH:31][cH:32]3)[n:21][o:22]2)[cH:14][cH:15][c:16]1[F:17].[F:1][CH:2]1[CH2:3][NH:4][CH2:5][CH2:6]1.[H-:7].[Na+:8].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46]>>[F:1][CH:2]1[CH2:3][N:4]([c:16]2[c:11]([C:9]#[N:10])[cH:12][c:13](-[c:18]3[n:19][c:20](-[c:23]4[c:24]5[cH:25][cH:26][n:27][c:28]([CH2:33][CH2:34][C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[c:29]5[cH:30][cH:31][cH:32]4)[n:21][o:22]3)[cH:14][cH:15]2)[CH2:5][CH2:6]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6228DimethylformamideHCID 166653HydrideHCID 3744989Pyrrolidine, 3-fluoro-HCID 581499101,1-Dimethylethyl 3-{5-[5-(3-cyano-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-isoquinolinyl}propanoate

Product 1

HCID 581499051,1-Dimethylethyl 3-(5-{5-[3-cyano-4-(3-fluoro-1-pyrrolidinyl)phenyl]-1,2,4-oxadiazol-3-yl}-1-isoquinolinyl)propanoate

Sources & evidence

ORD record
ord-504c8f9c411b42d79b31a102cebb8e43
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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