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Diethyl Ether → 1-[4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-methyl-2-morpholin-4-ylpentan-1-one

HRID 1209437
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HRID 1209437 반응식
[CH3:1][CH:2]([CH2:3][CH:4]([C:5](=[O:6])[OH:7])[N:8]1[CH2:9][CH2:10][O:11][CH2:12][CH2:13]1)[CH3:14].[CH3:74][CH2:75][O:76][CH2:77][CH3:78].[CH:15]([N:16]([CH2:17][CH3:18])[CH:19]([CH3:20])[CH3:21])([CH3:22])[CH3:23].[F:48][c:49]1[cH:50][cH:51][c:52]([CH:55]([N:56]2[CH2:57][CH2:58][NH:59][CH2:60][CH2:61]2)[c:62]2[cH:63][cH:64][c:65]([F:68])[cH:66][cH:67]2)[cH:53][cH:54]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[P-:24]([F:25])([F:26])([F:27])([F:28])([F:29])[F:30].[n:31]1([O:32][C:33]([N:34]([CH3:35])[CH3:36])=[N+:37]([CH3:38])[CH3:39])[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[CH3:1][CH:2]([CH2:3][CH:4]([C:5](=[O:7])[N:59]1[CH2:58][CH2:57][N:56]([CH:55]([c:52]2[cH:51][cH:50][c:49]([F:48])[cH:54][cH:53]2)[c:62]2[cH:63][cH:64][c:65]([F:68])[cH:66][cH:67]2)[CH2:61][CH2:60]1)[N:8]1[CH2:9][CH2:10][O:11][CH2:12][CH2:13]1)[CH3:14]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 1529321-(Bis(4-fluorophenyl)methyl)piperazineHCID 137650814-Methyl-2-morpholin-4-yl-pentanoic acid

생성물 1

HCID 184186981-[4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-methyl-2-morpholin-4-ylpentan-1-one

출처 및 근거

ORD 기록
ord-fc90ea37b9e34677886ce1e86e798f44
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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