Acetate → (5-[(1,1-Dimethylethyl)thio]-4-[(phenylmethyl)oxy]-2-pyridinyl}methyl acetate

HRID 1567767Notes

Reaction equation

HRID 1567767 reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][c:6]1[n:7][cH:8][c:9]([O:20][S:21]([C:22]([F:23])([F:24])[F:25])(=[O:26])=[O:27])[c:10]([O:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:11]1.[C:41]([O-:42])(=[O:43])[CH3:44].[C:46]([O-:47])(=[O:48])[CH3:49].[CH3:29][C:30]([CH3:31])([CH3:32])[SH:33].[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[Na:28].[Pd+2:45]>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][c:6]1[n:7][cH:8][c:9]([S:33][C:30]([CH3:29])([CH3:31])[CH3:32])[c:10]([O:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:11]1

Participants

7

Reactant 6

HCID 175Acetate2×HCID 1140TolueneHCID 6387tert-Butyl mercaptanHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 5360545SodiumHCID 87432463(4-[(Phenylmethyl)oxy]-5-{[(trifluoromethyl)sulfonyl]oxy}-2-pyridinyl)methyl acetate

Product 1

HCID 68598711(5-[(1,1-Dimethylethyl)thio]-4-[(phenylmethyl)oxy]-2-pyridinyl}methyl acetate

Sources & evidence

ORD record
ord-576d1b3a261f4d5eb93ed4cd1bd9ee4a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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