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Bromide ion → 4-(3,4-dihydro-2H-chromen-4-yl)-2-[[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,6-dimethylmorpholin-3-one

HRID 167385
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HRID 167385 반응식
[Br-:21].[F:41][c:42]1[cH:43][c:44]([CH:45]=[O:46])[cH:47][cH:48][c:49]1-[n:50]1[cH:51][n:52][c:53]([CH3:55])[cH:54]1.[O:1]1[CH2:2][CH2:3][CH:4]([N:11]2[C:12](=[O:20])[CH:13]([OH:19])[O:14][C:15]([CH3:17])([CH3:18])[CH2:16]2)[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21.[c:22]1([PH+:23]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[O:1]1[CH2:2][CH2:3][CH:4]([N:11]2[C:12](=[O:20])[C:13](=[CH:45][c:44]3[cH:43][c:42]([F:41])[c:49](-[n:50]4[cH:51][n:52][c:53]([CH3:55])[cH:54]4)[cH:48][cH:47]3)[O:14][C:15]([CH3:17])([CH3:18])[CH2:16]2)[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21
참가 물질출처 및 근거반응 노트

참가 물질

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반응물 4

HCID 259Bromide ionHCID 5241824TriphenylphosphoniumHCID 689092564-(3,4-dihydro-2H-chromen-4-yl)-2-hydroxy-6,6-dimethylmorpholin-3-oneHCID 707008423-Fluoro-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde

생성물 1

HCID 690076964-(3,4-dihydro-2H-chromen-4-yl)-2-[[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,6-dimethylmorpholin-3-one

출처 및 근거

ORD 기록
ord-09ee347d8fc141f49a48dc8d8364e157
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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