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Trifluoroacetic acid → 7-amino-9a-butyl-6-fluoro-4-methyl-8-nitro-1,2,9,9a-tetrahydro-3H-fluoren-3-one

HRID 2327288
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HRID 2327288 반응식
[Br:22][C:23]1=[C:35]([Br:36])[C:33]([N+:30](=[O:31])[O-:32])([CH3:34])[C:28]([Br:29])=[C:26]([Br:27])[C:24]1=[O:25].[CH3:44][CH2:45][O:46][C:47]([CH3:48])=[O:49].[NH2:1][c:2]1[c:3]([F:21])[cH:4][c:5]2[c:13]([cH:14]1)[CH2:12][C:11]1([CH2:15][CH2:16][CH2:17][CH3:18])[C:6]2=[C:7]([CH3:20])[C:8](=[O:19])[CH2:9][CH2:10]1.[OH:37][C:38]([C:39]([F:40])([F:41])[F:42])=[O:43]>>[NH2:1][c:2]1[c:3]([F:21])[cH:4][c:5]2[c:13]([c:14]1[N+:30](=[O:31])[O-:32])[CH2:12][C:11]1([CH2:15][CH2:16][CH2:17][CH3:18])[C:6]2=[C:7]([CH3:20])[C:8](=[O:19])[CH2:9][CH2:10]1
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참가 물질

5

반응물 4

HCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 27245472,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-oneHCID 98355697-amino-9a-butyl-6-fluoro-4-methyl-1,2,9,9a-tetrahydro-3H-fluoren-3-one

생성물 1

HCID 99236627-amino-9a-butyl-6-fluoro-4-methyl-8-nitro-1,2,9,9a-tetrahydro-3H-fluoren-3-one

출처 및 근거

ORD 기록
ord-c0f60b4f23a346049bb3169ffd6f7df5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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