2-Chloro-5-(trifluoromethyl)benzaldehyde → 6-[4-(2-Chloro-5-trifluoromethyl-benzyl)-piperazin-1-yl]-3H-pyrimidin-4-one

반응식

[Cl:14][c:15]1[c:16]([CH:17]=[O:18])[cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]1.[N:1]1([c:7]2[cH:8][c:9](=[O:13])[nH:10][cH:11][n:12]2)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1>>[N:1]1([c:7]2[cH:8][c:9](=[O:13])[nH:10][cH:11][n:12]2)[CH2:2][CH2:3][N:4]([CH2:17][c:16]2[c:15]([Cl:14])[cH:22][cH:21][c:20]([C:23]([F:24])([F:25])[F:26])[cH:19]2)[CH2:5][CH2:6]1

참가 물질

반응물 2

HCID 6881812-Chloro-5-(trifluoromethyl)benzaldehyde

HCID 1361025406-piperazin-1-yl-3H-pyrimidin-4-one

생성물 1

HCID 1361025386-[4-(2-Chloro-5-trifluoromethyl-benzyl)-piperazin-1-yl]-3H-pyrimidin-4-one

출처 및 근거

ORD 기록: ord-3ea760ade7d4405198a84a7401a07c49
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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