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Dimethyl Sulfoxide → 4-(5'-Bromo-3'-fluoro-2,3,5,6-tetrahydro-[1,2']bipyridinyl-4-ylideneaminooxy)-piperidine-1-carboxylic acid isopropyl ester

HRID 97373
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반응식

HRID 97373 반응식
[Br:21][c:22]1[cH:23][n:24][c:25]([Cl:29])[c:26]([F:28])[cH:27]1.[CH3:39][S:40]([CH3:41])=[O:42].[CH:30]([N:31]([CH:32]([CH3:33])[CH3:34])[CH2:35][CH3:36])([CH3:37])[CH3:38].[NH:1]1[CH2:2][CH2:3][C:4](=[N:7][O:8][CH:9]2[CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][CH:18]([CH3:19])[CH3:20])[CH2:13][CH2:14]2)[CH2:5][CH2:6]1>>[N:1]1([c:25]2[n:24][cH:23][c:22]([Br:21])[cH:27][c:26]2[F:28])[CH2:2][CH2:3][C:4](=[N:7][O:8][CH:9]2[CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][CH:18]([CH3:19])[CH3:20])[CH2:13][CH2:14]2)[CH2:5][CH2:6]1
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반응물 4

HCID 679Dimethyl SulfoxideHCID 81531DiisopropylethylamineHCID 27632855-Bromo-2-chloro-3-fluoropyridineHCID 57461147Isopropyl 4-(Piperidin-4-ylideneaminooxy)piperidine-1-carboxylate

생성물 1

HCID 866550094-(5'-Bromo-3'-fluoro-2,3,5,6-tetrahydro-[1,2']bipyridinyl-4-ylideneaminooxy)-piperidine-1-carboxylic acid isopropyl ester

출처 및 근거

ORD 기록
ord-c5c45f826daa4cd288fc4c492af30407
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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