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3-[4-(1-amino-cyclobutyl)-phenyl]-4-oxo-2-phenyl-4H-chromene-7-carboxylic acid amide → {1-[4-(6-Carbamoyl-7-methoxy-4-oxo-2-phenyl-4H-chromen-3-yl)-phenyl]-cyclobutyl}-carbamic acid tert-butylester

HRID 1209661
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반응식

HRID 1209661 반응식
[C:32]([CH3:33])([CH3:34])([CH3:35])[O:36][C:37]([NH:38][C:39]1([c:43]2[cH:44][cH:45][c:46](-[c:49]3[c:50](-[c:63]4[cH:64][cH:65][cH:66][cH:67][cH:68]4)[o:51][c:52]4[cH:53][c:54]([O:61][CH3:62])[c:55]([Br:60])[cH:56][c:57]4[c:58]3=[O:59])[cH:47][cH:48]2)[CH2:40][CH2:41][CH2:42]1)=[O:69].[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][c:13]([C:23](=[O:24])[NH2:25])[cH:14][cH:15]4)[o:16][c:17]3-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:26]3)[cH:27][cH:28]2)[CH2:29][CH2:30][CH2:31]1>>[C:23](=[O:24])([NH2:25])[c:55]1[c:54]([O:61][CH3:62])[cH:53][c:52]2[o:51][c:50](-[c:63]3[cH:64][cH:65][cH:66][cH:67][cH:68]3)[c:49](-[c:46]3[cH:45][cH:44][c:43]([C:39]4([NH:38][C:37]([O:36][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:69])[CH2:40][CH2:41][CH2:42]4)[cH:48][cH:47]3)[c:58](=[O:59])[c:57]2[cH:56]1
참가 물질출처 및 근거반응 노트

참가 물질

3

반응물 2

HCID 510309713-[4-(1-amino-cyclobutyl)-phenyl]-4-oxo-2-phenyl-4H-chromene-7-carboxylic acid amideHCID 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 67067752{1-[4-(6-Carbamoyl-7-methoxy-4-oxo-2-phenyl-4H-chromen-3-yl)-phenyl]-cyclobutyl}-carbamic acid tert-butylester

출처 및 근거

ORD 기록
ord-963c1932621142dcb66f03af44f8bed5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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