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Dimethyl Sulfoxide → 5-[1-[tert-butyl(dimethyl)silyl]oxy-2-[6-(2,2-difluoro-2-phenylethoxy)hexylamino]ethyl]-8-phenylmethoxy-1H-quinolin-2-one

HRID 173967
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HRID 173967 반응식
[C:49](=[O:50])([OH:51])[O-:52].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([CH:20]([CH2:21][Br:22])[O:23][Si:24]([CH3:25])([CH3:26])[C:27]([CH3:28])([CH3:29])[CH3:30])[c:13]2[cH:14][cH:15][c:16](=[O:19])[nH:17][c:18]12.[CH3:56][S:57]([CH3:58])=[O:59].[F:31][C:32]([CH2:33][O:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][NH2:41])([c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)[F:48].[I-:55].[Na+:53].[Na+:54].[OH2:60]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([CH:20]([CH2:21][NH:41][CH2:40][CH2:39][CH2:38][CH2:37][CH2:36][CH2:35][O:34][CH2:33][C:32]([F:31])([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[F:48])[O:23][Si:24]([CH3:25])([CH3:26])[C:27]([CH3:28])([CH3:29])[CH3:30])[c:13]2[cH:14][cH:15][c:16](=[O:19])[nH:17][c:18]12
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 679Dimethyl SulfoxideHCID 769Bicarbonate IonHCID 923Sodium Ion2회HCID 962WaterHCID 30165Iodide IonHCID 218806418-(benzyloxy)-5-[(1R)-2-bromo-1-{[tert-butyl(dimethyl)silyl]oxy}ethyl]quinolin-2(1H)-oneHCID 509930806-(2,2-Difluoro-2-phenylethoxy)-1-hexanamine

생성물 1

HCID 672455295-[1-[tert-butyl(dimethyl)silyl]oxy-2-[6-(2,2-difluoro-2-phenylethoxy)hexylamino]ethyl]-8-phenylmethoxy-1H-quinolin-2-one

출처 및 근거

ORD 기록
ord-ddbeff7f6ab846eeaf306674cfaf0e17
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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