3-[4-(1-Amino-cyclobutyl)-phenyl]-6-fluoro-2-phenyl-chromen-4-one → 3-[4-(1-Amino-cyclobutyl)-phenyl]-6-bromo-7-methoxy-2-phenyl-chromen-4-one

반응식

[C:30]([O:31][C:32](=[O:33])[NH:36][C:37]1([c:41]2[cH:42][cH:43][c:44](-[c:47]3[c:48](-[c:61]4[cH:62][cH:63][cH:64][cH:65][cH:66]4)[o:49][c:50]4[cH:51][c:52]([O:59][CH3:60])[c:53]([Br:58])[cH:54][c:55]4[c:56]3=[O:57])[cH:45][cH:46]2)[CH2:38][CH2:39][CH2:40]1)([CH3:34])([CH3:35])[CH3:67].[NH2:1][C:2]1([c:3]2[cH:4][cH:5][c:6](-[c:7]3[c:8](=[O:9])[c:10]4[c:11]([cH:12][cH:13][c:14]([F:15])[cH:16]4)[o:17][c:18]3-[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:25][cH:26]2)[CH2:27][CH2:28][CH2:29]1>>[NH2:36][C:37]1([c:41]2[cH:42][cH:43][c:44](-[c:47]3[c:48](-[c:61]4[cH:62][cH:63][cH:64][cH:65][cH:66]4)[o:49][c:50]4[cH:51][c:52]([O:59][CH3:60])[c:53]([Br:58])[cH:54][c:55]4[c:56]3=[O:57])[cH:45][cH:46]2)[CH2:38][CH2:39][CH2:40]1

참가 물질

반응물 2

HCID 510305983-[4-(1-Amino-cyclobutyl)-phenyl]-6-fluoro-2-phenyl-chromen-4-one

HCID 67067774{1-[4-(6-bromo-7-methoxy-4-oxo-2-phenyl-4H-chromen-3-yl)-phenyl]-cyclobutyl}-carbamic acid tert-butyl ester

생성물 1

HCID 510309743-[4-(1-Amino-cyclobutyl)-phenyl]-6-bromo-7-methoxy-2-phenyl-chromen-4-one

출처 및 근거

ORD 기록: ord-5df4dcbc3f814abba450971b46f82321
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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