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Acetonitrile → 6-Bromo-4-[1-(3-phenyl-allyl)-piperidine-4-ylamino]-chromen-2-One

HRID 1565496
노트
인쇄 미리보기

반응식

HRID 1565496 반응식
[Br:24][c:25]1[cH:26][c:27]2[c:28]([O:36][S:37]([C:38]([F:39])([F:40])[F:41])(=[O:42])=[O:43])[cH:29][c:30](=[O:35])[o:31][c:32]2[cH:33][cH:34]1.[CH3:17][CH2:18][N:19]([CH2:20][CH3:21])[CH2:22][CH3:23].[CH3:44][C:45]#[N:46].[NH2:1][CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH:9]=[CH:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[CH2:6][CH2:7]1>>[NH:1]([CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH:9]=[CH:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[CH2:6][CH2:7]1)[c:28]1[c:27]2[cH:26][c:25]([Br:24])[cH:34][cH:33][c:32]2[o:31][c:30](=[O:35])[cH:29]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 544281014-Amino-1-cinnamylpiperidineHCID 601491964-[[(Trifluoromethyl)sulfonyl]oxy]-6-bromocoumarin

생성물 1

HCID 737123526-Bromo-4-[1-(3-phenyl-allyl)-piperidine-4-ylamino]-chromen-2-One

출처 및 근거

ORD 기록
ord-8de57634fd484631b2bfb5cbf795de1a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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