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Acetic Acid → Diethyl [2-({[7-(cyclohexylamino)-1-(1-ethylpropyl)-6-fluoro-4-oxo-1,4-dihydroquinolin-3-yl]methyl}amino)propyl]phosphonate

HRID 136185
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HRID 136185 반응식
[C:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60].[CH3:67][C:68](=[O:69])[OH:70].[ClH:1].[NH2:2][CH2:3][c:4]1[cH:5][n:6]([CH:23]([CH2:24][CH3:25])[CH2:26][CH3:27])[c:7]2[cH:8][c:9]([NH:16][CH:17]3[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]3)[c:10]([F:15])[cH:11][c:12]2[c:13]1=[O:14].[Na+:53].[O:28]=[C:29]([CH2:30][P:31]([O:32][CH2:33][CH3:34])([O:35][CH2:36][CH3:37])=[O:38])[CH3:39].[OH2:66]>>[NH:2]([CH2:3][c:4]1[cH:5][n:6]([CH:23]([CH2:24][CH3:25])[CH2:26][CH3:27])[c:7]2[cH:8][c:9]([NH:16][CH:17]3[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]3)[c:10]([F:15])[cH:11][c:12]2[c:13]1=[O:14])[CH:29]([CH2:30][P:31]([O:32][CH2:33][CH3:34])([O:35][CH2:36][CH3:37])=[O:38])[CH3:39]
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 923Sodium IonHCID 962WaterHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 140281-Diethoxyphosphorylpropan-2-oneHCID 2724942Triacetoxyborohydride
HCID 666368543-(Aminomethyl)-7-(cyclohexylamino)-6-fluoro-1-pentan-3-ylquinolin-4-one

생성물 1

HCID 86633052Diethyl [2-({[7-(cyclohexylamino)-1-(1-ethylpropyl)-6-fluoro-4-oxo-1,4-dihydroquinolin-3-yl]methyl}amino)propyl]phosphonate

출처 및 근거

ORD 기록
ord-b2918354ac4148dba2ee97a178a4122a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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