Acetate → [8-(3,5-Bis-trifluoromethyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[3-fluoro-1-(3-methyl-[1,2,4]thiadiazol-5-yl)-piperidin-4-yl]-amine

HRID 2325753Notes

Reaction equation

HRID 2325753 reaction equation
[CH3:64][C:65]([CH3:66])([O-:67])[CH3:68].[CH:1]1([P:2]([CH:3]2[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]1.[Cl:57][c:58]1[n:59][c:60]([CH3:63])[n:61][s:62]1.[F:26][C:27]([c:28]1[cH:29][c:30](-[c:38]2[c:39]3[n:40]([cH:41][cH:42][cH:43]2)[n:44][c:45]([NH:47][CH:48]2[CH:49]([F:54])[CH2:50][NH:51][CH2:52][CH2:53]2)[n:46]3)[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]1)([F:55])[F:56].[Na+:69].[O-:77][C:78]([CH3:79])=[O:80].[O-:81][C:82]([CH3:83])=[O:84].[O:70]1[CH2:71][CH2:72][O:73][CH2:74][CH2:75]1.[Pd+2:76]>>[F:26][C:27]([c:28]1[cH:29][c:30](-[c:38]2[c:39]3[n:40]([cH:41][cH:42][cH:43]2)[n:44][c:45]([NH:47][CH:48]2[CH:49]([F:54])[CH2:50][N:51]([c:58]4[n:59][c:60]([CH3:63])[n:61][s:62]4)[CH2:52][CH2:53]2)[n:46]3)[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]1)([F:55])[F:56]

Participants

9

Reactant 8

HCID 175Acetate2×HCID 923Sodium ionHCID 312751,4-DioxaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27342162-(Dicyclohexylphosphino)biphenylHCID 45749132-Methylpropan-2-olateHCID 129191595-Chloro-3-methyl-1,2,4-thiadiazoleHCID 866567258-(3,5-bis(trifluoromethyl)phenyl)-N-(3-fluoropiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

Product 1

HCID 76775942[8-(3,5-Bis-trifluoromethyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[3-fluoro-1-(3-methyl-[1,2,4]thiadiazol-5-yl)-piperidin-4-yl]-amine

Sources & evidence

ORD record
ord-ff1dc131a86244dea331af9b3838d479
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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