Tetrahydrofuran → 2-ethylsulfanyl-N-[(3-fluorophenyl)-methyl]-6-morpholin-4-yl-4-(trifluoromethyl)-pyridine-3-carboxylic acid amide

HRID 90943Notes

Reaction equation

HRID 90943 reaction equation
[CH2:1]([CH3:2])[S:3][c:4]1[n:5][c:6]([N:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[cH:7][c:8]([C:13]([F:14])([F:15])[F:16])[c:9]1[C:10](=[O:11])[OH:12].[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[F:47][c:48]1[cH:49][c:50]([CH2:51][NH2:52])[cH:53][cH:54][cH:55]1.[P-:23]([F:24])([F:25])([F:26])([F:27])([F:28])[F:29].[n:30]1([O:31][C:32]([N:33]([CH3:34])[CH3:35])=[N+:36]([CH3:37])[CH3:38])[c:39]2[n:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[CH2:1]([CH3:2])[S:3][c:4]1[n:5][c:6]([N:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[cH:7][c:8]([C:13]([F:14])([F:15])[F:16])[c:9]1[C:10](=[O:11])[NH:52][CH2:51][c:50]1[cH:49][c:48]([F:47])[cH:55][cH:54][cH:53]1

Participants

6

Reactant 5

HCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 668533-FluorobenzylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 672876242-(Ethylsulfanyl)-6-morpholin-4-yl-4-(trifluoromethyl)-pyridine-3-carboxylic acid

Product 1

HCID 569627642-ethylsulfanyl-N-[(3-fluorophenyl)-methyl]-6-morpholin-4-yl-4-(trifluoromethyl)-pyridine-3-carboxylic acid amide

Sources & evidence

ORD record
ord-e2387fdfeb7e4ff680f63bf366dd3147
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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