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2-Amino-5-fluoro-N-methylbenzamide → Ethyl cis-4-(5-{[2-({4-[(diethoxyphosphoryl)methyl]-2-methoxyphenyl}amino)-5-(trifluoromethyl)pyrimidin-4-yl]amino}-3-methyl-4-oxo-1,4-dihydroquinolin-8-yl)cyclohexanecarboxylate

HRID 165310
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인쇄 미리보기

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HRID 165310 반응식
[Cl:13][c:14]1[n:15][c:16]([NH:24][c:25]2[c:26]([O:40][CH3:41])[cH:27][c:28]([CH2:29][P:30]([O:31][CH2:32][CH3:33])([O:34][CH2:35][CH3:36])=[O:37])[cH:38][cH:39]2)[n:17][cH:18][c:19]1[C:20]([F:21])([F:22])[F:23].[NH2:1][c:2]1[cH:3][cH:4][c:5]([F:6])[cH:7][c:8]1[C:9]([NH:10][CH3:11])=[O:12].[NH2:42][c:43]1[c:44]2[c:45](=[O:65])[c:46]([CH3:64])[cH:47][nH:48][c:49]2[c:50]([CH:53]2[CH2:54][CH2:55][CH:56]([C:59](=[O:60])[O:61][CH2:62][CH3:63])[CH2:57][CH2:58]2)[cH:51][cH:52]1>>[c:14]1([NH:42][c:43]2[c:44]3[c:45](=[O:65])[c:46]([CH3:64])[cH:47][nH:48][c:49]3[c:50]([CH:53]3[CH2:54][CH2:55][CH:56]([C:59](=[O:60])[O:61][CH2:62][CH3:63])[CH2:57][CH2:58]3)[cH:51][cH:52]2)[n:15][c:16]([NH:24][c:25]2[c:26]([O:40][CH3:41])[cH:27][c:28]([CH2:29][P:30]([O:31][CH2:32][CH3:33])([O:34][CH2:35][CH3:36])=[O:37])[cH:38][cH:39]2)[n:17][cH:18][c:19]1[C:20]([F:21])([F:22])[F:23]
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반응물 3

HCID 431325582-Amino-5-fluoro-N-methylbenzamideHCID 67253513Ethyl cis-4-(5-amino-3-methyl-4-oxo-1,4-dihydroquinolin-8-yl)cyclohexanecarboxylateHCID 86654002Diethyl (4-{[4-chloro-5-(trifluoromethyl) pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate

생성물 1

HCID 58292929Ethyl cis-4-(5-{[2-({4-[(diethoxyphosphoryl)methyl]-2-methoxyphenyl}amino)-5-(trifluoromethyl)pyrimidin-4-yl]amino}-3-methyl-4-oxo-1,4-dihydroquinolin-8-yl)cyclohexanecarboxylate

출처 및 근거

ORD 기록
ord-315cf92d9cc446c884e5935f2ea7ae26
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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