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Potassium Cation → N-(3,5-Bis-trifluoromethyl-benzyl)-6-(3-cyano-phenoxy)-N-methyl-4-o-tolyl-nicotinamide

HRID 691499
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HRID 691499 반응식
[C:43](=[O:44])([O-:45])[O-:46].[CH3:49][O:50][C:51]([CH3:52])([CH3:53])[CH3:54].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([C:8]([c:9]2[cH:10][n:11][c:12]([I:22])[cH:13][c:14]2-[c:15]2[c:16]([CH3:21])[cH:17][cH:18][cH:19][cH:20]2)=[O:23])[CH3:24])[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1)([F:32])[F:33].[K+:47].[K+:48].[OH:34][c:35]1[cH:36][c:37]([C:38]#[N:39])[cH:40][cH:41][cH:42]1.[cH:55]1[cH:56][cH:57][n:58][cH:59][cH:60]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([C:8]([c:9]2[cH:10][n:11][c:12]([O:34][c:35]3[cH:36][c:37]([C:38]#[N:39])[cH:40][cH:41][cH:42]3)[cH:13][c:14]2-[c:15]2[c:16]([CH3:21])[cH:17][cH:18][cH:19][cH:20]2)=[O:23])[CH3:24])[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1)([F:32])[F:33]
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7

반응물 6

HCID 813Potassium Cation2회HCID 1049PyridineHCID 133943-CyanophenolHCID 15413tert-Butyl methyl etherHCID 19660Carbonate IonHCID 10231844N-(3,5-Bis-trifluoromethyl-benzyl)-6-iodo-N-methyl-4-o-tolyl-nicotinamide

생성물 1

HCID 23502813
N-(3,5-Bis-trifluoromethyl-benzyl)-6-(3-cyano-phenoxy)-N-methyl-4-o-tolyl-nicotinamide

출처 및 근거

ORD 기록
ord-5734b18cd49b40499dc0ba5b6b234693
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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