Bicarbonate Ion → 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-6-[3-(hydroxymethyl)morpholin-4-yl]-4-methylpyridine-3-carboxamide

HRID 665685Notes

Reaction equation

HRID 665685 reaction equation
[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[CH3:18][Si:19]([CH3:20])([CH3:21])[Cl:22].[CH3:64][N:65]1[CH2:66][CH2:67][CH2:68][C:69]1=[O:70].[CH3:9][Si:10]([CH3:11])([CH3:12])[NH:13][Si:14]([CH3:15])([CH3:16])[CH3:17].[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[Cl:23][c:24]1[cH:25][c:26]([CH3:44])[c:27]([C:33](=[O:34])[NH:35][CH2:36][c:37]2[cH:38][c:39]([F:43])[cH:40][cH:41][cH:42]2)[c:28]([S:30][CH2:31][CH3:32])[n:29]1.[Na+:58].[O-:54][C:55]([OH:56])=[O:57].[O:1]1[CH2:2][CH:3]([CH2:7][OH:8])[NH:4][CH2:5][CH2:6]1>>[O:1]1[CH2:2][CH:3]([CH2:7][OH:8])[N:4]([c:24]2[cH:25][c:26]([CH3:44])[c:27]([C:33](=[O:34])[NH:35][CH2:36][c:37]3[cH:38][c:39]([F:43])[cH:40][cH:41][cH:42]3)[c:28]([S:30][CH2:31][CH3:32])[n:29]2)[CH2:5][CH2:6]1

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6397ChlorotrimethylsilaneHCID 8028TetrahydrofuranHCID 13387N-methyl-2-pyrrolidoneHCID 13838HexamethyldisilazaneHCID 81531DiisopropylethylamineHCID 5058360(Morpholin-3-yl)methanolHCID 866643146-chloro-2-ethylsulfanyl-N-[(3-fluorophenyl)-methyl]-4-methyl-pyridine-3-carboxylic acid amide

Product 1

HCID 764501262-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-6-[3-(hydroxymethyl)morpholin-4-yl]-4-methylpyridine-3-carboxamide

Sources & evidence

ORD record
ord-4eca545a5f5c4699abbe0509af91ea6d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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