1-(4-((6-Bromohexyl)oxy)butyl)-4-nitrobenzene → 5-[1-[tert-butyl(dimethyl)silyl]oxy-2-[6-[4-(4-nitrophenyl)butoxy]hexylamino]ethyl]-8-hydroxy-1H-quinolin-2-one

HRID 109643

반응식

HRID 109643 반응식
[Br:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][O:49][CH2:50][CH2:51][CH2:52][CH2:53][c:54]1[cH:55][cH:56][c:57]([N+:60](=[O:61])[O-:62])[cH:58][cH:59]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([CH2:8][NH:9][CH2:10][CH2:11][CH2:12][C:13]#[C:14][c:15]1[cH:16][cH:17][c:18]([NH:19][C:20](=[O:21])[C:22]([F:23])([F:24])[F:25])[cH:26][cH:27]1)[c:28]1[c:29]2[cH:30][cH:31][c:32](=[O:39])[nH:33][c:34]2[c:35]([OH:38])[cH:36][cH:37]1)([CH3:40])[CH3:41]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([CH2:8][NH:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:48][O:49][CH2:50][CH2:51][CH2:52][CH2:53][c:54]1[cH:55][cH:56][c:57]([N+:60](=[O:61])[O-:62])[cH:58][cH:59]1)[c:28]1[c:29]2[cH:30][cH:31][c:32](=[O:39])[nH:33][c:34]2[c:35]([OH:38])[cH:36][cH:37]1)([CH3:40])[CH3:41]

참가 물질

3

반응물 2

HCID 200714241-(4-((6-Bromohexyl)oxy)butyl)-4-nitrobenzeneHCID 87227381N-[4-[5-[[2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]pent-1-ynyl]phenyl]-2,2,2-trifluoroacetamide

생성물 1

HCID 669883485-[1-[tert-butyl(dimethyl)silyl]oxy-2-[6-[4-(4-nitrophenyl)butoxy]hexylamino]ethyl]-8-hydroxy-1H-quinolin-2-one

출처 및 근거

ORD 기록
ord-34f007091f664046b5d9d65a978e2aa8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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