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

HRID 2155504
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HRID 2155504 반응식
[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][c:6]1[n:7][cH:8][c:9]([O:20][CH2:21][c:22]2[cH:23][cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]2)[c:10]([O:12][S:13]([C:14]([F:15])([F:16])[F:17])(=[O:18])=[O:19])[cH:11]1.[C:43]([O-:44])(=[O:45])[CH3:46].[C:48]([O-:49])(=[O:50])[CH3:51].[CH3:30][C:31]([CH3:32])([CH3:33])[S-:34].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[Na+:35].[Pd+2:47]>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][c:6]1[n:7][cH:8][c:9]([O:20][CH2:21][c:22]2[cH:23][cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]2)[c:10]([S:34][C:31]([CH3:30])([CH3:32])[CH3:33])[cH:11]1
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7

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HCID 175Acetate2회HCID 923Sodium IonHCID 1140TolueneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 23432710HCID 23432710, 화합물HCID 57423118(5-((4-Methoxybenzyl)oxy)-4-(((trifluoromethyl)sulfonyl)oxy)pyridin-2-yl)methyl acetate

생성물 1

HCID 68576335
[4-[(1,1-Dimethylethyl)thio]-5-({[4-(methoxy)phenyl]methyl}oxy)-2-pyridinyl]methyl acetate

출처 및 근거

ORD 기록
ord-c805fd223b7447f8a757db2976cbfce7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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