Acetate → 1-[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]-N-{[2-(trifluoromethyl)phenyl]methyl}-4-piperidinecarboxamide

HRID 215420Notes

Reaction equation

HRID 215420 reaction equation
[CH2:29]1[O:30][CH2:31][CH2:32][O:33][CH2:34]1.[CH:1]1([P:2]([CH:3]2[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]2)[CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]2)[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]1.[Cl:35][c:36]1[n:37][c:38]([N:44]2[CH2:45][CH2:46][CH:47]([C:50](=[O:51])[NH:52][CH2:53][c:54]3[c:55]([C:60]([F:61])([F:62])[F:63])[cH:56][cH:57][cH:58][cH:59]3)[CH2:48][CH2:49]2)[n:39][c:40]([NH:42][CH3:43])[n:41]1.[O-:66][C:67]([CH3:68])=[O:69].[O-:70][C:71]([CH3:72])=[O:73].[OH2:64].[Pd+2:65].[c:20]1([B:26]([OH:27])[OH:28])[cH:21][cH:22][cH:23][cH:24][cH:25]1>>[c:20]1(-[c:36]2[n:37][c:38]([N:44]3[CH2:45][CH2:46][CH:47]([C:50](=[O:51])[NH:52][CH2:53][c:54]4[c:55]([C:60]([F:61])([F:62])[F:63])[cH:56][cH:57][cH:58][cH:59]4)[CH2:48][CH2:49]3)[n:39][c:40]([NH:42][CH3:43])[n:41]2)[cH:21][cH:22][cH:23][cH:24][cH:25]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 962WaterHCID 312751,4-DioxaneHCID 66827Phenylboronic AcidHCID 75806TricyclohexylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 866443121-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-{[-(trifluoromethyl)phenyl]methyl}-4-piperidinecarboxamide

Product 1

HCID 252612871-[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]-N-{[2-(trifluoromethyl)phenyl]methyl}-4-piperidinecarboxamide

Sources & evidence

ORD record
ord-57c5065e8b67499cb27874583d08d42d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…