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Acetic Acid → 3-(5-(Tert-butyldimethylsilanyloxy)-5-(4-fluorophenyl)-2-[(4-fluorophenyl-amino)-(4-hydroxyphenyl)methyl]pentanoyl)-4-phenyloxazolidin-2-one

HRID 1545975
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HRID 1545975 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([CH2:8][CH2:9][CH2:10][C:11](=[O:12])[N:13]1[C:14](=[O:24])[O:15][CH2:16][CH:17]1[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[c:25]1[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]1)([CH3:32])[CH3:33].[C:64]([OH:65])(=[O:66])[CH:67]([CH:68]([C:69]([OH:70])=[O:71])[OH:72])[OH:73].[CH2:50]([N:51]([CH:52]([CH3:53])[CH3:54])[CH:55]([CH3:56])[CH3:57])[CH3:58].[CH3:59][Si:60]([Cl:61])([CH3:62])[CH3:63].[CH3:84][C:85](=[O:86])[OH:87].[Cl-:79].[Cl-:80].[Cl-:81].[Cl-:82].[F:34][c:35]1[cH:36][cH:37][c:38]([N:41]=[CH:42][c:43]2[cH:44][cH:45][c:46]([OH:49])[cH:47][cH:48]2)[cH:39][cH:40]1.[Na+:74].[OH:75][S:76](=[O:77])[O-:78].[Ti+4:83]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([CH2:8][CH2:9][CH:10]([C:11](=[O:12])[N:13]1[C:14](=[O:24])[O:15][CH2:16][CH:17]1[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[CH:42]([NH:41][c:38]1[cH:37][cH:36][c:35]([F:34])[cH:40][cH:39]1)[c:43]1[cH:44][cH:45][c:46]([OH:49])[cH:47][cH:48]1)[c:25]1[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]1)([CH3:32])[CH3:33]
참가 물질출처 및 근거반응 노트

참가 물질

11

반응물 10

HCID 176Acetic AcidHCID 312Chloride4회HCID 8752,3-Dihydroxybutanedioic AcidHCID 923Sodium IonHCID 6397ChlorotrimethylsilaneHCID 81531DiisopropylethylamineHCID 104748Bisulfite
HCID 114942
Titanium cation (4+)
HCID 7202544-[[(4-Fluorophenyl)imino]methyl]phenol
HCID 121116183-[5-(tert-Butyldimethylsilanyloxy)-5-(4-fluorophenyl)pentanoyl]4-phenyloxazolidin-2-one

생성물 1

HCID 222520473-(5-(Tert-butyldimethylsilanyloxy)-5-(4-fluorophenyl)-2-[(4-fluorophenyl-amino)-(4-hydroxyphenyl)methyl]pentanoyl)-4-phenyloxazolidin-2-one

출처 및 근거

ORD 기록
ord-cb05e107685d4bb7b5fd006e8447e669
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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