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Tetrahydrofuran → N-[(3,5-difluoro-phenyl)-methyl]-2-ethylsulfanyl-4-methyl-6-morpholin-4-yl-pyridine-3-carboxylic acid amide

HRID 281590
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HRID 281590 반응식
[CH2:1]([CH3:2])[S:3][c:4]1[n:5][c:6]([N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[cH:7][c:8]([CH3:13])[c:9]1[C:10](=[O:11])[OH:12].[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:59][CH2:60][O:61][C:62]([CH3:63])=[O:64].[F:20][c:21]1[cH:22][c:23]([CH2:24][NH2:25])[cH:26][c:27]([F:29])[cH:28]1.[P-:30]([F:31])([F:32])([F:33])([F:34])([F:35])[F:36].[n:37]1([O:38][C:39]([N:40]([CH3:41])[CH3:42])=[N+:43]([CH3:44])[CH3:45])[c:46]2[n:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[CH2:1]([CH3:2])[S:3][c:4]1[n:5][c:6]([N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[cH:7][c:8]([CH3:13])[c:9]1[C:10](=[O:12])[NH:25][CH2:24][c:23]1[cH:22][c:21]([F:20])[cH:28][c:27]([F:29])[cH:26]1
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참가 물질

7

반응물 6

HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 1452113,5-DifluorobenzylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 672874632-Ethylsulfanyl-4-methyl-6-morpholin-4-yl-pyridine-3-carboxylic acid

생성물 1

HCID 56962683N-[(3,5-difluoro-phenyl)-methyl]-2-ethylsulfanyl-4-methyl-6-morpholin-4-yl-pyridine-3-carboxylic acid amide

출처 및 근거

ORD 기록
ord-f0ae3e07029947059de63b432741ec2e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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