Diisopropylamine → 5-benzyloxy-2-[3-(4-cyanophenoxy)-3-methyl-2-oxobutyl]pyridine N-oxide

HRID 1129945Notes

Reaction equation

HRID 1129945 reaction equation
[C:50](#[N:51])[c:52]1[cH:53][cH:54][c:55]([O:56][C:57]([C:58](=[O:59])[O:60][CH2:61][CH3:62])([CH3:63])[CH3:64])[cH:65][cH:66]1.[CH2:34]([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[O:41][c:42]1[cH:43][cH:44][c:45]([CH3:49])[n+:46]([O-:48])[cH:47]1.[CH3:1][C:2]1([CH3:3])[CH2:4][CH:5]([c:6]2[cH:7][cH:8][cH:9][cH:10][n:11]2)[c:12]2[cH:13][c:14]([C:15]([OH:16])=[O:17])[cH:18][cH:19][c:20]2[O:21]1.[CH3:67][CH2:68][CH2:69][CH2:70][CH2:71][CH3:72].[CH3:78][CH2:79][O:80][C:81](=[O:82])[CH3:83].[CH:27]([NH:28][CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[Li:22][CH2:23][CH2:24][CH2:25][CH3:26].[O:73]1[CH2:74][CH2:75][CH2:76][CH2:77]1>>[CH2:34]([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[O:41][c:42]1[cH:43][cH:44][c:45]([CH2:49][C:58]([C:57]([O:56][c:55]2[cH:54][cH:53][c:52]([C:50]#[N:51])[cH:66][cH:65]2)([CH3:63])[CH3:64])=[O:59])[n+:46]([O-:48])[cH:47]1

Participants

9

Reactant 8

HCID 7912DiisopropylamineHCID 8028TetrahydrofuranHCID 8058HexaneHCID 8857Ethyl AcetateHCID 205808Propanoic acid, 2-(4-cyanophenoxy)-2-methyl-, ethyl esterHCID 123972525-Benzyloxy-2-methylpyridine 1-oxideHCID 150389033,4-dihydro-2,2-dimethyl-4-(2-pyridyl)-2H-1-benzopyran-6-carboxylic acidHCID 178418339Butyllithium

Product 1

HCID 543932385-benzyloxy-2-[3-(4-cyanophenoxy)-3-methyl-2-oxobutyl]pyridine N-oxide

Sources & evidence

ORD record
ord-d2059d2da86944168a2caabdfec358bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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