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Sodium Ion → 1,1-Dimethylethyl 9,9-bis(4-fluorophenyl)-5-hydroxy-8-(1-methylethyl)-3-oxo-6,8-nonadienoate

HRID 206094
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HRID 206094 반응식
[C:24]([CH2:25][C:26](=[O:27])[CH3:28])(=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34].[CH2:37]([Li:38])[CH2:39][CH2:40][CH3:41].[F:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[C:9]([CH:10]=[CH:11][CH:12]=[O:13])[CH:14]([CH3:15])[CH3:16])[c:17]2[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]2)[cH:6][cH:7]1.[H-:35].[Na+:36].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[C:9]([CH:10]=[CH:11][CH:12]([OH:13])[CH2:28][C:26]([CH2:25][C:24](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:27])[CH:14]([CH3:15])[CH3:16])[c:17]2[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]2)[cH:6][cH:7]1
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참가 물질

7

반응물 6

HCID 923Sodium IonHCID 8028TetrahydrofuranHCID 15538Tert-butyl acetoacetateHCID 166653HydrideHCID 538739495,5-Bis(4-fluorophenyl)-4-(1-methylethyl)-2,4-pentadienalHCID 178418339Butyllithium

생성물 1

HCID 53726151
1,1-Dimethylethyl 9,9-bis(4-fluorophenyl)-5-hydroxy-8-(1-methylethyl)-3-oxo-6,8-nonadienoate

출처 및 근거

ORD 기록
ord-564f252b32f74688a9a6885da89538ef
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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