Toluene → Bixafen

반응식

[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[Cl:13][c:14]1[cH:15][c:16](-[c:21]2[c:22]([NH2:28])[cH:23][cH:24][c:25]([F:27])[cH:26]2)[cH:17][cH:18][c:19]1[Cl:20].[F:1][CH:2]([c:3]1[n:4][n:5]([CH3:11])[cH:6][c:7]1[C:8](=[O:9])[Cl:10])[F:12]>>[F:1][CH:2]([c:3]1[n:4][n:5]([CH3:11])[cH:6][c:7]1[C:8](=[O:9])[NH:28][c:22]1[c:21](-[c:16]2[cH:15][c:14]([Cl:13])[c:19]([Cl:20])[cH:18][cH:17]2)[cH:26][c:25]([F:27])[cH:24][cH:23]1)[F:12]

참가 물질

반응물 3

HCID 1140Toluene

HCID 115724193',4'-Dichloro-5-fluoro-[1,1'-biphenyl]-2-amine

HCID 153401103-(Difluoromethyl)-1-methyl-1 H-pyrazole-4-carbonyl chloride

생성물 1

HCID 11434448Bixafen

출처 및 근거

ORD 기록: ord-13c4c2d34aff4848a72acc1e98e3c38b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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