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Potassium Cation → 1,1-Dimethylethyl 7-[(2-fluoro-4-nitrophenyl)oxy]-1,2,4,5-tetrahydro-3H-3-benzazepine-3-carboxylate

HRID 1220999
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인쇄 미리보기

반응식

HRID 1220999 반응식
[C:12]([CH3:13])([CH3:14])([CH3:15])[O:16][C:17](=[O:18])[N:19]1[CH2:20][CH2:21][c:22]2[c:23]([cH:26][c:27]([OH:30])[cH:28][cH:29]2)[CH2:24][CH2:25]1.[C:31](=[O:32])([O-:33])[O-:34].[CH3:37][N:38]([CH3:39])[CH:40]=[O:41].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[F:1][c:2]1[cH:3][c:4]([N+:9](=[O:10])[O-:11])[cH:5][cH:6][c:7]1[F:8].[K+:35].[K+:36]>>[F:1][c:2]1[cH:3][c:4]([N+:9](=[O:10])[O-:11])[cH:5][cH:6][c:7]1[O:30][c:27]1[cH:26][c:23]2[c:22]([cH:29][cH:28]1)[CH2:21][CH2:20][N:19]([C:17]([O:16][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:18])[CH2:25][CH2:24]2
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참가 물질

7

반응물 6

HCID 813Potassium Cation2회HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 1230531,2-Difluoro-4-nitrobenzeneHCID 18173274tert-butyl 7-hydroxy-2,3,4,5-tetrahydro-1H-3-benzazepine-3-carboxylate

생성물 1

HCID 58984582
1,1-Dimethylethyl 7-[(2-fluoro-4-nitrophenyl)oxy]-1,2,4,5-tetrahydro-3H-3-benzazepine-3-carboxylate

출처 및 근거

ORD 기록
ord-ab5cf1f87059413c9226968f15d9b4f8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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