Acetate → 7-[2,6-Dimethoxy-4-(methoxymethyl)phenyl]-2-ethyl-3-nitropyrazolo[1,5-a]pyridine

HRID 2149803Notes

Reaction equation

HRID 2149803 reaction equation
[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[n:7]1[n:8][c:9]([CH2:14][CH3:15])[c:10]2[N+:11](=[O:12])[O-:13].[C:61]([O-:62])(=[O:63])[CH3:64].[C:66]([O-:67])(=[O:68])[CH3:69].[CH3:16][O:17][c:18]1[c:19]([O:29][B:30]([OH:31])[OH:32])[c:20]([O:27][CH3:28])[cH:21][c:22]([CH2:24][O:25][CH3:26])[cH:23]1.[CH3:71][CH2:72][O:73][C:74](=[O:75])[CH3:76].[CH3:77][O:78][CH2:79][CH2:80][O:81][CH3:82].[K+:58].[K+:59].[K+:60].[OH2:52].[OH2:70].[P:53]([O-:54])([O-:55])([O-:56])=[O:57].[Pd+2:65].[c:33]1([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[c:2]1(-[c:19]2[c:18]([O:17][CH3:16])[cH:23][c:22]([CH2:24][O:25][CH3:26])[cH:21][c:20]2[O:27][CH3:28])[cH:3][cH:4][cH:5][c:6]2[n:7]1[n:8][c:9]([CH2:14][CH3:15])[c:10]2[N+:11](=[O:12])[O-:13]

Participants

11

Reactant 10

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962Water2×HCID 1061PhosphateHCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 219844817-Bromo-2-ethyl-3-nitropyrazolo[1,5-a]pyridineHCID 230809452,6-Dimethoxy-4-methoxymethylphenylboric acid

Product 1

HCID 210841097-[2,6-Dimethoxy-4-(methoxymethyl)phenyl]-2-ethyl-3-nitropyrazolo[1,5-a]pyridine

Sources & evidence

ORD record
ord-0bc5f93f36b2442a898c84ae9966ec90
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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