Ammonium → Methyl 5-{[cyclohexyl(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]amino}pyridine-2-carboxylate

HRID 125152Notes

Reaction equation

HRID 125152 reaction equation
[C:24](=[O:25])([O-:26])[OH:27].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[CH:1]1([CH:7]([OH:8])[c:9]2[o:10][c:11]3[c:12]([c:13]2[CH3:14])[cH:15][c:16]([F:19])[cH:17][cH:18]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl-:48].[I-:41].[NH2:29][c:30]1[cH:31][cH:32][c:33]([C:36](=[O:37])[O:38][CH3:39])[n:34][cH:35]1.[NH4+:49].[Na+:28].[Na+:40].[Na+:42].[Na+:43].[O-:44][C:45](=[O:46])[O-:47].[S:20]([Cl:21])([Cl:22])=[O:23]>>[CH:1]1([CH:7]([c:9]2[o:10][c:11]3[c:12]([c:13]2[CH3:14])[cH:15][c:16]([F:19])[cH:17][cH:18]3)[NH:29][c:30]2[cH:31][cH:32][c:33]([C:36](=[O:37])[O:38][CH3:39])[n:34][cH:35]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

12

Reactant 11

HCID 223AmmoniumHCID 312ChlorideHCID 769Bicarbonate IonHCID 923Sodium ion4×HCID 1140TolueneHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 24386Thionyl ChlorideHCID 30165Iodide IonHCID 12457877Methyl 5-aminopyridine-2-carboxylateHCID 66777937Cyclohexyl(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol

Product 1

HCID 66777793Methyl 5-{[cyclohexyl(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]amino}pyridine-2-carboxylate

Sources & evidence

ORD record
ord-8a3c506b95a94189bb97b4cd35b130b5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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