Sodium ion → 2-Ethylsulfanyl-N-[(3-fluorophenyl)-methyl]-4-methyl-6-(3-oxo-morpholin-4-yl)-pyridine-3-carboxylic acid amide

HRID 2159487Notes

Reaction equation

HRID 2159487 reaction equation
[C:30](=[O:31])([O-:32])[O-:33].[C:52](#[N:53])[CH2:54][CH3:55].[Cl:1][c:2]1[cH:3][c:4]([CH3:22])[c:5]([C:11](=[O:12])[NH:13][CH2:14][c:15]2[cH:16][c:17]([F:21])[cH:18][cH:19][cH:20]2)[c:6]([S:8][CH2:9][CH3:10])[n:7]1.[Cl:25][C:26]([SiH3:27])([Cl:28])[Cl:29].[Cs+:34].[Cs+:35].[Cu:56][I:57].[I-:23].[Na+:24].[O:45]1[CH2:46][C:47](=[O:51])[NH:48][CH2:49][CH2:50]1.[OH:36][C:37]([c:38]1[n:39][cH:40][cH:41][cH:42][cH:43]1)=[O:44]>>[c:2]1([N:48]2[C:47](=[O:51])[CH2:46][O:45][CH2:50][CH2:49]2)[cH:3][c:4]([CH3:22])[c:5]([C:11](=[O:12])[NH:13][CH2:14][c:15]2[cH:16][c:17]([F:21])[cH:18][cH:19][cH:20]2)[c:6]([S:8][CH2:9][CH3:10])[n:7]1

Participants

11

Reactant 10

HCID 923Sodium ionHCID 1018Picolinic acidHCID 7854PropionitrileHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 30165Iodide IonHCID 669533-MorpholinoneHCID 104967Cesium cation2×HCID 71317501CID 71317501HCID 866643146-chloro-2-ethylsulfanyl-N-[(3-fluorophenyl)-methyl]-4-methyl-pyridine-3-carboxylic acid amide

Product 1

HCID 672872292-Ethylsulfanyl-N-[(3-fluorophenyl)-methyl]-4-methyl-6-(3-oxo-morpholin-4-yl)-pyridine-3-carboxylic acid amide

Sources & evidence

ORD record
ord-6ab0b92ee042471fa8ddeb9639e69198
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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