Toluene → N-chloroacetyl-N'-[4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazole-3-yl]-2-methylbenzoyl]-N'-methyl urea

HRID 294475

반응식

HRID 294475 반응식
[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[Cl:1][c:2]1[cH:3][c:4]([C:9]2([C:25]([F:26])([F:27])[F:28])[CH2:10][C:11]([c:14]3[cH:15][c:16]([CH3:24])[c:17]([C:18](=[O:19])[NH:20][CH3:21])[cH:22][cH:23]3)=[N:12][O:13]2)[cH:5][c:6]([Cl:8])[cH:7]1.[Cl:29][CH2:30][C:31](=[O:32])[N:33]=[C:34]=[O:35]>>[Cl:1][c:2]1[cH:3][c:4]([C:9]2([C:25]([F:26])([F:27])[F:28])[CH2:10][C:11]([c:14]3[cH:15][c:16]([CH3:24])[c:17]([C:18](=[O:19])[N:20]([CH3:21])[C:34]([NH:33][C:31]([CH2:30][Cl:29])=[O:32])=[O:35])[cH:22][cH:23]3)=[N:12][O:13]2)[cH:5][c:6]([Cl:8])[cH:7]1

참가 물질

4

반응물 3

HCID 1140TolueneHCID 78209Chloroacetyl isocyanateHCID 667843434-(5-(3,5-Dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-N,2-dimethylbenzamide

생성물 1

HCID 86654461N-chloroacetyl-N'-[4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazole-3-yl]-2-methylbenzoyl]-N'-methyl urea

출처 및 근거

ORD 기록
ord-b868fb5ed592446095b278d6e2de47e9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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