{1-[4-(6-Fluoro-4-oxo-2-phenyl-4H-chromen-3-yl)-phenyl]-cyclobutyl}-carbamic acid tert-butyl ester → 2-Methyl-propane-2-sulfinic acid {3-[4-(8-bromo-4-oxo-2-phenyl-4H-chromen-3-yl)-phenyl]-oxetan-3-yl}-amide
반응식
[Br:37][c:38]1[cH:39][cH:40][cH:41][c:42]2[c:43](=[O:55])[c:44]([I:54])[c:45](-[c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)[o:46][c:47]12.[C:1]([O:2][C:3](=[O:4])[NH:5][C:6]1([c:7]2[cH:8][cH:9][c:10](-[c:11]3[c:12](=[O:13])[c:14]4[c:15]([cH:16][cH:17][c:18]([F:19])[cH:20]4)[o:21][c:22]3-[c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[cH:29][cH:30]2)[CH2:31][CH2:32][CH2:33]1)([CH3:34])([CH3:35])[CH3:36].[CH3:56][C:57]1([CH3:58])[C:59]([CH3:60])([CH3:61])[O:62][B:63]([c:64]2[cH:65][cH:66][c:67]([C:70]3([NH:74][S:75](=[O:76])[C:77]([CH3:78])([CH3:79])[CH3:80])[CH2:71][O:72][CH2:73]3)[cH:68][cH:69]2)[O:81]1>>[Br:37][c:38]1[cH:39][cH:40][cH:41][c:42]2[c:43](=[O:55])[c:44](-[c:64]3[cH:65][cH:66][c:67]([C:70]4([NH:74][S:75](=[O:76])[C:77]([CH3:78])([CH3:79])[CH3:80])[CH2:71][O:72][CH2:73]4)[cH:68][cH:69]3)[c:45](-[c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)[o:46][c:47]12참가 물질
4
반응물 3
생성물 1
출처 및 근거
- ORD 기록
- ord-bb049d064fb24bbfb833f9cf271945bd
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
반응 노트
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