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Pyridine → 3-cyclopentyl-2-(4-methylsulfanyl-3-trifluoromethyl-phenyl)-N-(5-nitro-pyridin-2-yl)-propionamide

HRID 208357
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HRID 208357 반응식
[Br:20][N:21]1[C:22](=[O:23])[CH2:24][CH2:25][C:26]1=[O:27].[CH2:66]([Cl:67])[Cl:68].[CH:28]1([CH2:33][CH:34]([C:35](=[O:36])[OH:37])[c:38]2[cH:39][c:40]([C:46]([F:47])([F:48])[F:49])[c:41]([S:44][CH3:45])[cH:42][cH:43]2)[CH2:29][CH2:30][CH2:31][CH2:32]1.[NH2:50][c:51]1[n:52][cH:53][c:54]([N+:57](=[O:58])[O-:59])[cH:55][cH:56]1.[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1.[cH:60]1[cH:61][cH:62][n:63][cH:64][cH:65]1>>[CH:28]1([CH2:33][CH:34]([C:35](=[O:36])[NH:50][c:51]2[n:52][cH:53][c:54]([N+:57](=[O:58])[O-:59])[cH:55][cH:56]2)[c:38]2[cH:39][c:40]([C:46]([F:47])([F:48])[F:49])[c:41]([S:44][CH3:45])[cH:42][cH:43]2)[CH2:29][CH2:30][CH2:31][CH2:32]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 1049PyridineHCID 6344DichloromethaneHCID 11776TriphenylphosphineHCID 67184N-bromobutanimideHCID 778882-Amino-5-nitropyridineHCID 223151533-Cyclopentyl-2-(4-methylsulfanyl-3-trifluoromethyl-phenyl)-propionic acid

생성물 1

HCID 22315216
3-cyclopentyl-2-(4-methylsulfanyl-3-trifluoromethyl-phenyl)-N-(5-nitro-pyridin-2-yl)-propionamide

출처 및 근거

ORD 기록
ord-1b68f5e8c0f24cb2970667a2e9317c56
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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