Chloride → 2,2-Dimethyl-5-(6-methoxypyridin-2-yl)-4H-(1,3)benzodioxin-4-one

HRID 2139656Notes

Reaction equation

HRID 2139656 reaction equation
[C:45]([c:46]1[cH:47][c:48]([CH3:49])[cH:50][c:51]([C:52]([CH3:53])([CH3:54])[CH3:55])[c:56]1[OH:57])([CH3:58])([CH3:59])[CH3:60].[CH3:1][C:2]1([CH3:21])[O:3][C:4](=[O:20])[c:5]2[c:6]([cH:8][cH:9][cH:10][c:11]2[O:12][S:13]([C:14]([F:15])([F:16])[F:17])(=[O:18])=[O:19])[O:7]1.[CH3:22][O:23][c:24]1[cH:25][cH:26][cH:27][c:28]([Sn:30]([CH2:31][CH2:32][CH2:33][CH3:34])([CH2:35][CH2:36][CH2:37][CH3:38])[CH2:39][CH2:40][CH2:41][CH3:42])[n:29]1.[Cl-:44].[Li+:43].[O:61]1[CH2:62][CH2:63][O:64][CH2:65][CH2:66]1>>[CH3:1][C:2]1([CH3:21])[O:3][C:4](=[O:20])[c:5]2[c:6]([cH:8][cH:9][cH:10][c:11]2-[c:28]2[cH:27][cH:26][cH:25][c:24]([O:23][CH3:22])[n:29]2)[O:7]1

Participants

7

Reactant 6

HCID 312ChlorideHCID 28486Lithium ionHCID 312751,4-DioxaneHCID 314042,6-Di-tert-butyl-4-methylphenolHCID 105248912-Methoxy-6-(tributylstannyl)pyridineHCID 108927482,2-Dimethyl-4-oxo-4H-benzo[D][1,3]dioxin-5-YL trifluoromethanesulfonate

Product 1

HCID 152794162,2-Dimethyl-5-(6-methoxypyridin-2-yl)-4H-(1,3)benzodioxin-4-one

Sources & evidence

ORD record
ord-c1b0ecc0677f4829bb26f192fe382dce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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