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Dimethylformamide → cis-4-{[5-Fluoro-2-(3-methylsulfanyl-phenoxy)-pyridine-3-carbonyl]-amino}-cyclohexanecarboxylic acid benzyl ester

HRID 143365
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반응식

HRID 143365 반응식
[C:37](=[O:38])([O-:39])[O-:40].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[CH:11]1[CH2:12][CH2:13][CH:14]([NH:17][C:18](=[O:19])[c:20]2[c:21]([Cl:27])[n:22][cH:23][c:24]([F:26])[cH:25]2)[CH2:15][CH2:16]1.[CH3:28][S:29][c:30]1[cH:31][c:32]([OH:36])[cH:33][cH:34][cH:35]1.[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[Cs+:41].[Cs+:42]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[CH:11]1[CH2:12][CH2:13][CH:14]([NH:17][C:18](=[O:19])[c:20]2[c:21]([O:36][c:32]3[cH:31][c:30]([S:29][CH3:28])[cH:35][cH:34][cH:33]3)[n:22][cH:23][c:24]([F:26])[cH:25]2)[CH2:15][CH2:16]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 99204073-(Methylsulfanyl)phenolHCID 20872630cis-4-[(2-Chloro-5-fluoro-pyridine-3-carbonyl)-amino]-cyclohexanecarboxylic acid benzyl ester

생성물 1

HCID 58746180
cis-4-{[5-Fluoro-2-(3-methylsulfanyl-phenoxy)-pyridine-3-carbonyl]-amino}-cyclohexanecarboxylic acid benzyl ester

출처 및 근거

ORD 기록
ord-d7467ec3dac04401b4b907600cfcf9a6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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