2-(Bromomethyl)-1,4-difluorobenzene → 1-(2,5-Difluorobenzyl)-5-ethyl-6-(3,5-dimethylphenyl)thio-2,4-pyrimidinedione

반응식

[CH2:1]([CH3:2])[c:3]1[c:4](=[O:19])[nH:5][c:6](=[O:18])[nH:7][c:8]1[S:9][c:10]1[cH:11][c:12]([CH3:17])[cH:13][c:14]([CH3:16])[cH:15]1.[F:20][c:21]1[c:22]([CH2:23][Br:24])[cH:25][c:26]([F:29])[cH:27][cH:28]1>>[CH2:1]([CH3:2])[c:3]1[c:4](=[O:19])[nH:5][c:6](=[O:18])[n:7]([CH2:23][c:22]2[c:21]([F:20])[cH:28][cH:27][c:26]([F:29])[cH:25]2)[c:8]1[S:9][c:10]1[cH:11][c:12]([CH3:17])[cH:13][c:14]([CH3:16])[cH:15]1

참가 물질

반응물 2

HCID 5228302-(Bromomethyl)-1,4-difluorobenzene

HCID 104927276-(3,5-dimethylphenyl)sulfanyl-5-ethyl-1H-pyrimidine-2,4-dione

생성물 1

HCID 159577471-(2,5-Difluorobenzyl)-5-ethyl-6-(3,5-dimethylphenyl)thio-2,4-pyrimidinedione

출처 및 근거

ORD 기록: ord-b3cdce21ba7244daa8d7e3f165850c95
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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