Dichloromethane → 2-[[3,3-difluoro-3-(4-fluorophenyl)-propyl]-sulfanyl]-N-(3-methyl-butyl)-pyridine-3-carboxylic acid amide

HRID 693980Notes

Reaction equation

HRID 693980 reaction equation
[CH3:56][CH:57]([CH2:58][CH2:59][NH2:60])[CH3:61].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl:62][CH2:63][Cl:64].[F:34][C:35]([CH2:36][CH2:37][S:38][c:39]1[c:40]([C:41](=[O:42])[OH:43])[cH:44][cH:45][cH:46][n:47]1)([c:48]1[cH:49][cH:50][c:51]([F:54])[cH:52][cH:53]1)[F:55].[P-:10]([F:11])([F:12])([F:13])([F:14])([F:15])[F:16].[n:17]1([O:18][C:19]([N:20]([CH3:21])[CH3:22])=[N+:23]([CH3:24])[CH3:25])[c:26]2[n:27][cH:28][cH:29][cH:30][c:31]2[n:32][n:33]1>>[F:34][C:35]([CH2:36][CH2:37][S:38][c:39]1[c:40]([C:41](=[O:43])[NH:60][CH2:59][CH2:58][CH:57]([CH3:56])[CH3:61])[cH:44][cH:45][cH:46][n:47]1)([c:48]1[cH:49][cH:50][c:51]([F:54])[cH:52][cH:53]1)[F:55]

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 7894IsoamylamineHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 671336742-(3,3-Difluoro-3-(4-fluorophenyl)propylthio)-nicotinic acid

Product 1

HCID 594873012-[[3,3-difluoro-3-(4-fluorophenyl)-propyl]-sulfanyl]-N-(3-methyl-butyl)-pyridine-3-carboxylic acid amide

Sources & evidence

ORD record
ord-33ad1f9f9518404f85c4fc073161ec48
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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