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Potassium Cation → 6-{[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethyl]-amino}-N-isopropyl-nicotinamide

HRID 1212287
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반응식

HRID 1212287 반응식
[C:34]([CH:35]([CH:36]([C:37]([O-:38])=[O:39])[OH:40])[OH:41])([O-:42])=[O:43].[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:5][CH:6]([CH3:7])[NH2:8].[CH3:9][O:10][C:11]([c:12]1[cH:13][n:14][c:15]([NH:18][CH2:19][c:20]2[c:21](-[c:26]3[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]3)[n:22][o:23][c:24]2[CH3:25])[cH:16][cH:17]1)=[O:33].[K+:44].[Na+:45].[O:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1>>[CH3:5][CH:6]([CH3:7])[NH:8][C:11]([c:12]1[cH:13][n:14][c:15]([NH:18][CH2:19][c:20]2[c:21](-[c:26]3[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]3)[n:22][o:23][c:24]2[CH3:25])[cH:16][cH:17]1)=[O:33]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 813Potassium CationHCID 923Sodium IonHCID 6363IsopropylamineHCID 312751,4-DioxaneHCID 38061142,3-DihydroxybutanedioateHCID 16682925TrimethylaluminumHCID 684433926-{[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethyl]-amino}-nicotinic acid methyl ester

생성물 1

HCID 684426016-{[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethyl]-amino}-N-isopropyl-nicotinamide

출처 및 근거

ORD 기록
ord-9b19d49f45aa43cf90d370e0588f2ac4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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