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Dimethyl Sulfoxide → (RS)-N-[4-cyano-2-(5-nitro-pyridin-2-yloxy)-benzyl]-2-ethoxy-2-(2-fluoro-4-methoxy-phenyl)-acetamide

HRID 1113889
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HRID 1113889 반응식
[C:1](#[N:2])[c:3]1[cH:4][c:5]([OH:26])[c:6]([CH2:7][NH:8][C:9]([CH:10]([c:11]2[c:12]([F:19])[cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]2)[O:20][CH2:21][CH3:22])=[O:23])[cH:24][cH:25]1.[C:37](=[O:38])([O-:39])[O-:40].[CH3:43][S:44]([CH3:45])=[O:46].[Cl:27][c:28]1[n:29][cH:30][c:31]([N+:34](=[O:35])[O-:36])[cH:32][cH:33]1.[Cs+:41].[Cs+:42]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([O:26][c:28]2[n:29][cH:30][c:31]([N+:34](=[O:35])[O-:36])[cH:32][cH:33]2)[c:6]([CH2:7][NH:8][C:9]([CH:10]([c:11]2[c:12]([F:19])[cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]2)[O:20][CH2:21][CH3:22])=[O:23])[cH:24][cH:25]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 679Dimethyl SulfoxideHCID 19660Carbonate IonHCID 783082-Chloro-5-nitropyridineHCID 104967Cesium cation2회HCID 21905309(RS)-N-(4-cyano-2-hydroxy-benzyl)-2-ethoxy-2-(2-fluoro-4-methoxy-phenyl)-acetamide

생성물 1

HCID 21905212
(RS)-N-[4-cyano-2-(5-nitro-pyridin-2-yloxy)-benzyl]-2-ethoxy-2-(2-fluoro-4-methoxy-phenyl)-acetamide

출처 및 근거

ORD 기록
ord-a70bc541492a4a7bb333506a2adafac5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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