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Dimethyl Sulfoxide → 4-[1-(5-Amino-2-fluoro-4-nitro-phenyl)-piperidin-4-ylideneaminooxy]-piperidine-1-carboxylic acid isopropyl ester

HRID 2319179
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HRID 2319179 반응식
[CH3:42][S:43]([CH3:44])=[O:45].[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[Cl:21][c:22]1[c:23]([F:32])[cH:24][c:25]([N+:29](=[O:30])[O-:31])[c:26]([NH2:28])[cH:27]1.[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.[Na+:50].[O-:46][C:47]([OH:48])=[O:49]>>[N:1]1([c:22]2[c:23]([F:32])[cH:24][c:25]([N+:29](=[O:30])[O-:31])[c:26]([NH2:28])[cH:27]2)[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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7

반응물 6

HCID 679Dimethyl SulfoxideHCID 769Bicarbonate IonHCID 923Sodium IonHCID 81531DiisopropylethylamineHCID 5178355-Chloro-4-fluoro-2-nitroanilineHCID 57461147Isopropyl 4-(Piperidin-4-ylideneaminooxy)piperidine-1-carboxylate

생성물 1

HCID 86655019
4-[1-(5-Amino-2-fluoro-4-nitro-phenyl)-piperidin-4-ylideneaminooxy]-piperidine-1-carboxylic acid isopropyl ester

출처 및 근거

ORD 기록
ord-d3962f3d3e514cedb50a0af510b1ee4c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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