Dichloromethane → N-(1-{5-[5-(3,5-dichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-3-methyl-thiophen-2-yl}-ethyl)-propionamide

반응식

[C:1]([CH2:2][CH3:3])(=[O:4])[Cl:5].[Cl:32][CH2:33][Cl:34].[Cl:6][c:7]1[cH:8][c:9]([C:14]2([C:28]([F:29])([F:30])[F:31])[CH2:15][C:16]([c:19]3[cH:20][c:21]([CH3:27])[c:22]([CH:24]([CH3:25])[NH2:26])[s:23]3)=[N:17][O:18]2)[cH:10][c:11]([Cl:13])[cH:12]1>>[C:1]([CH2:2][CH3:3])(=[O:4])[NH:26][CH:24]([c:22]1[c:21]([CH3:27])[cH:20][c:19]([C:16]2=[N:17][O:18][C:14]([c:9]3[cH:8][c:7]([Cl:6])[cH:12][c:11]([Cl:13])[cH:10]3)([C:28]([F:29])([F:30])[F:31])[CH2:15]2)[s:23]1)[CH3:25]

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 62324Propionyl chloride

HCID 665872941-{5-[5-(3,5-Dichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-3-methyl-thiophen-2-yl}-ethylamine

생성물 1

HCID 54766913N-(1-{5-[5-(3,5-dichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-3-methyl-thiophen-2-yl}-ethyl)-propionamide

출처 및 근거

ORD 기록: ord-c4151388e61f469481870aca498ec6fe
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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