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Toluene → (2,3,5,6-Tetrafluorophenyl)methyl 2,2-dimethyl-3-prop-1-enylcyclopropane-1-carboxylate

HRID 162959
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HRID 162959 반응식
[CH3:1][C:2]1([CH3:11])[CH:3]([C:8](=[O:9])[OH:10])[CH:4]1[CH:5]=[CH:6][CH3:7].[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[F:12][c:13]1[c:14]([CH2:22][OH:23])[c:15]([F:21])[c:16]([F:20])[cH:17][c:18]1[F:19].[O:43]=[C:44]([O:45][CH:46]([CH3:47])[CH3:48])[N:49]=[N:50][C:51]([O:52][CH:53]([CH3:54])[CH3:55])=[O:56].[O:64]1[CH2:65][CH2:66][CH2:67][CH2:68]1.[c:24]1([P:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[CH3:1][C:2]1([CH3:11])[CH:3]([C:8](=[O:9])[O:10][CH2:22][c:14]2[c:13]([F:12])[c:18]([F:19])[cH:17][c:16]([F:20])[c:15]2[F:21])[CH:4]1[CH:5]=[CH:6][CH3:7]
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반응물 6

HCID 1140TolueneHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 75555Diisopropyl diazene-1,2-dicarboxylateHCID 27340292,3,5,6-Tetrafluorobenzyl alcoholHCID 207713612,2-Dimethyl-3-(1-propenyl)-cyclopropane carboxylic acid

생성물 1

HCID 53634427
(2,3,5,6-Tetrafluorophenyl)methyl 2,2-dimethyl-3-prop-1-enylcyclopropane-1-carboxylate

출처 및 근거

ORD 기록
ord-57af0c351d364e51804e71cc996cc390
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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