Acetate → 4-[2-[[benzyl-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenoxypropyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]pyridine-2-carboxamide
Reaction equation
[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][c:11]3[c:16]([cH:17][cH:18]2)[O:15][CH:14]([CH2:19][N:20]([CH2:21][CH:22]([CH2:23][O:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[O:31][Si:32]([CH3:33])([CH3:34])[C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:39][c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[CH2:13][CH2:12]3)[O:46]1.[CH3:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1.[CH3:89][CH2:90][OH:91].[Cl:47][c:48]1[cH:49][c:50]([C:54](=[O:55])[NH2:56])[n:51][cH:52][cH:53]1.[Na+:57].[Na+:58].[O-:59][C:60](=[O:61])[O-:62].[O-:93][C:94]([CH3:95])=[O:96].[O-:97][C:98]([CH3:99])=[O:100].[Pd+2:92].[c:63]1([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[cH:77][cH:78][cH:79][cH:80][cH:81]1>>[c:9]1(-[c:48]2[cH:49][c:50]([C:54](=[O:55])[NH2:56])[n:51][cH:52][cH:53]2)[cH:10][c:11]2[c:16]([cH:17][cH:18]1)[O:15][CH:14]([CH2:19][N:20]([CH2:21][CH:22]([CH2:23][O:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[O:31][Si:32]([CH3:33])([CH3:34])[C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[CH2:13][CH2:12]2Participants
10
Reactant 9
HCID 175Acetate2×
HCID 702Ethanol
HCID 923Sodium ion2×
HCID 1140Toluene
HCID 11776Triphenylphosphine
HCID 19660Carbonate Ion
HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)
HCID 3035434-Chloropyridine-2-carboxamide
HCID 178431011N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-3-phenoxy-N-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-chromen-2-yl]methyl]propan-1-amineProduct 1
Sources & evidence
- ORD record
- ord-cd1b6882ce4841108a85b2f98493b6cc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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