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Dimethylformamide → 2-methoxy-N-[phenyl-(3-pyrrolidin-1-yl-oxetan-3-yl)-methyl]-4,6-bis-trifluoromethyl-benzamide

HRID 678606
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HRID 678606 반응식
[CH3:70][N:71]([CH3:72])[CH:73]=[O:74].[CH:20]([N:21]([CH2:22][CH3:23])[CH:24]([CH3:25])[CH3:26])([CH3:27])[CH3:28].[F:1][C:2]([c:3]1[c:4]([C:5](=[O:6])[OH:7])[c:8]([O:16][CH3:17])[cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[cH:11]1)([F:18])[F:19].[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[c:53]1([CH:59]([C:60]2([N:64]3[CH2:65][CH2:66][CH2:67][CH2:68]3)[CH2:61][O:62][CH2:63]2)[NH2:69])[cH:54][cH:55][cH:56][cH:57][cH:58]1.[n:36]1([O:37][C:38]([N:39]([CH3:40])[CH3:41])=[N+:42]([CH3:43])[CH3:44])[c:45]2[n:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[F:1][C:2]([c:3]1[c:4]([C:5](=[O:6])[NH:69][CH:59]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[C:60]2([N:64]3[CH2:65][CH2:66][CH2:67][CH2:68]3)[CH2:61][O:62][CH2:63]2)[c:8]([O:16][CH3:17])[cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[cH:11]1)([F:18])[F:19]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 27412872-Methoxy-4,6-bis(trifluoromethyl)benzoic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 59197932C-Phenyl-C-(3-pyrrolidin-1-yl-oxetan-3-yl)-methylamine

생성물

1
HCID 461789612-methoxy-N-[phenyl-(3-pyrrolidin-1-yl-oxetan-3-yl)-methyl]-4,6-bis-trifluoromethyl-benzamide

출처 및 근거

ORD 기록
ord-13a1968916454af6a1044ffcf671458a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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