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Sodium Ion → Methyl n-(5-cyano-2-pyridyl)-n-[4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazole-3-yl]-2-methylbenzoyl]carbamate

HRID 1564415
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HRID 1564415 반응식
[C:3](#[N:4])[c:5]1[cH:6][cH:7][c:8]([NH:11][C:12]([c:13]2[c:14]([CH3:36])[cH:15][c:16]([C:19]3=[N:20][O:21][C:22]([C:24]([F:25])([F:26])[F:27])([c:28]4[cH:29][c:30]([Cl:35])[cH:31][c:32]([Cl:34])[cH:33]4)[CH2:23]3)[cH:17][cH:18]2)=[O:37])[n:9][cH:10]1.[Cl:40][C:41](=[O:42])[O:43][CH3:44].[H-:1].[H:38][H:39].[Na+:2].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[OH2:50]>>[C:3](#[N:4])[c:5]1[cH:6][cH:7][c:8]([N:11]([C:12]([c:13]2[c:14]([CH3:36])[cH:15][c:16]([C:19]3=[N:20][O:21][C:22]([C:24]([F:25])([F:26])[F:27])([c:28]4[cH:29][c:30]([Cl:35])[cH:31][c:32]([Cl:34])[cH:33]4)[CH2:23]3)[cH:17][cH:18]2)=[O:37])[C:41](=[O:42])[O:43][CH3:44])[n:9][cH:10]1
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HCID 923Sodium IonHCID 962WaterHCID 6586Methyl chloroformateHCID 8028TetrahydrofuranHCID 166653HydrideHCID 67164147N-(5-cyano-2-pyridyl)-4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydro-isoxazole-3-yl]-2-methyl benzoic acid amideHCID 178418361HCID 178418361, 화합물

생성물 1

HCID 67165458Methyl n-(5-cyano-2-pyridyl)-n-[4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazole-3-yl]-2-methylbenzoyl]carbamate

출처 및 근거

ORD 기록
ord-a16864c5435648d0ac38a19dc6bf0b16
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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