1-(2,4-Xylyl)piperazine → (4-Bromo-2-methanesulfonylphenyl)[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone

반응식

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

참가 물질

반응물 2

HCID 705441-(2,4-Xylyl)piperazine

HCID 27610574-Bromo-2-methanesulfonylbenzoic acid

생성물 1

HCID 58484856(4-Bromo-2-methanesulfonylphenyl)[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone

출처 및 근거

ORD 기록: ord-14ea8d3a0fa44739a0c0511136cf475e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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