Acetate → N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-4-ethyl-5-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-4'-(morpholinomethyl)-[1,1'-biphenyl]-3-carboxamide

HRID 1238740Notes

Reaction equation

HRID 1238740 reaction equation
[C:84]([O-:85])(=[O:86])[CH3:87].[C:88]([O-:89])(=[O:90])[CH3:91].[CH3:62][C:63]1([CH3:64])[C:65]([CH3:66])([CH3:67])[O:68][B:69]([c:70]2[cH:71][cH:72][c:73]([CH2:74][N:75]3[CH2:76][CH2:77][O:78][CH2:79][CH2:80]3)[cH:81][cH:82]2)[O:83]1.[CH3:93][OH:94].[CH3:95][O:96][CH2:97][CH2:98][O:99][CH2:100][CH2:101][O:102][CH3:103].[CH:32]1([P:33]([CH:34]2[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2-[c:46]2[c:47]([N:48]([CH3:49])[CH3:50])[cH:51][cH:52][cH:53][cH:54]2)[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59]1.[Cl:1][c:2]1[cH:3][c:4]([N:23]([CH:24]2[CH2:25][CH2:26][O:27][CH2:28][CH2:29]2)[CH2:30][CH3:31])[c:5]([CH2:21][CH3:22])[c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[c:12](=[O:19])[nH:13][c:14]([CH3:18])[cH:15][c:16]2[CH3:17])[cH:20]1.[Cs+:61].[F-:60].[Pd+2:92]>>[c:2]1(-[c:70]2[cH:71][cH:72][c:73]([CH2:74][N:75]3[CH2:76][CH2:77][O:78][CH2:79][CH2:80]3)[cH:81][cH:82]2)[cH:3][c:4]([N:23]([CH:24]2[CH2:25][CH2:26][O:27][CH2:28][CH2:29]2)[CH2:30][CH3:31])[c:5]([CH2:21][CH3:22])[c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[c:12](=[O:19])[nH:13][c:14]([CH3:18])[cH:15][c:16]2[CH3:17])[cH:20]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 887MethanolHCID 8150DiglymeHCID 28179Fluoride IonHCID 104967Cesium cationHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27342172-(Dicyclohexylphosphino)-2'-(dimethylamino)biphenylHCID 27955024-((Morpholino)methyl)phenylboronic acid pinacol esterHCID 708722615-chloro-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-2-ethyl-3-[ethyl(oxan-4-yl)amino]benzamide

Product 1

HCID 70872679N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-4-ethyl-5-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-4'-(morpholinomethyl)-[1,1'-biphenyl]-3-carboxamide

Sources & evidence

ORD record
ord-48cdfba80e1f48999b1ee5d9c8ebc2fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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