Benzene → 3-(5-acetylamino-4-chloro-2-fluorophenyl)-1-methyl-6-trifluoromethyl-2,4(1H,3H)-pyrimidinedione

반응식

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

참가 물질

반응물 3

HCID 241Benzene

HCID 7918Acetic Anhydride

HCID 186192573-(5-amino-4-chloro-2-fluorophenyl)-1-methyl-6-trifluoromethyl-2,4(1H,3H)-pyrimidinedione

생성물 1

HCID 183659043-(5-acetylamino-4-chloro-2-fluorophenyl)-1-methyl-6-trifluoromethyl-2,4(1H,3H)-pyrimidinedione

출처 및 근거

ORD 기록: ord-f0663ebcb8044af0adc5edd36263a5df
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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