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Water → 1-[2-Fluoro-4-(1H-pyrazol-1-yl)phenyl]-N,5-dimethoxy-N-methyl-4-oxo-1,4-dihydropyridazine-3-carboxamide

HRID 160163
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HRID 160163 반응식
[C:39](=[O:40])([O-:41])[O-:42].[CH3:45][C:46]#[N:47].[CH:29](=[N:30][OH:31])[c:32]1[c:33]([OH:38])[cH:34][cH:35][cH:36][cH:37]1.[Cs+:43].[Cs+:44].[F:1][c:2]1[c:3](-[n:9]2[n:10][c:11]([C:18](=[O:19])[N:20]([CH3:21])[O:22][CH3:23])[c:12](=[O:17])[c:13]([O:15][CH3:16])[cH:14]2)[cH:4][cH:5][c:6]([I:8])[cH:7]1.[OH2:48].[nH:24]1[n:25][cH:26][cH:27][cH:28]1>>[F:1][c:2]1[c:3](-[n:9]2[n:10][c:11]([C:18](=[O:19])[N:20]([CH3:21])[O:22][CH3:23])[c:12](=[O:17])[c:13]([O:15][CH3:16])[cH:14]2)[cH:4][cH:5][c:6](-[n:24]2[n:25][cH:26][cH:27][cH:28]2)[cH:7]1
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참가 물질

8

반응물 7

HCID 962WaterHCID 1048PyrazoleHCID 6342AcetonitrileHCID 7200Salicylaldehyde oximeHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 866439311-(2-Fluoro-4-iodophenyl)-N,5-dimethoxy-N-methyl-4-oxo-1,4-dihydropyridazine-3-carboxamide

생성물

1
HCID 594362571-[2-Fluoro-4-(1H-pyrazol-1-yl)phenyl]-N,5-dimethoxy-N-methyl-4-oxo-1,4-dihydropyridazine-3-carboxamide

출처 및 근거

ORD 기록
ord-d4fcbbc7d5394a5bb32c8337b2fcf16e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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