4-Bromo-2-methylbenzoic acid → (4-Bromo-2-methylphenyl)[4-(5-cyclopropyl-3-methylpyridin-2-yl)piperazin-1-yl]methanone

반응식

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

참가 물질

반응물 2

HCID 995704-Bromo-2-methylbenzoic acid

HCID 584847181-(5-Cyclopropyl-3-methylpyridin-2-yl)piperazine

생성물 1

HCID 58484636(4-Bromo-2-methylphenyl)[4-(5-cyclopropyl-3-methylpyridin-2-yl)piperazin-1-yl]methanone

출처 및 근거

ORD 기록: ord-484ed9ee440c4a828db97d0c78b95975
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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