Acetonitrile → Methyl 4-[2-[4-(4-pyridyl)piperazin-1-yl]-2-methylacetyl]phenoxyacetate

반응식

[CH3:1][CH:2]([C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([O:9][CH2:10][C:11](=[O:12])[O:13][CH3:14])[cH:15][cH:16]1)[Br:17].[CH3:30][C:31]#[N:32].[n:18]1[cH:19][cH:20][c:21]([N:24]2[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]2)[cH:22][cH:23]1>>[CH3:1][CH:2]([C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([O:9][CH2:10][C:11](=[O:12])[O:13][CH3:14])[cH:15][cH:16]1)[N:27]1[CH2:26][CH2:25][N:24]([c:21]2[cH:20][cH:19][n:18][cH:23][cH:22]2)[CH2:29][CH2:28]1

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 705171-(4-Pyridyl)piperazine

HCID 18918226Methyl 4-(2-methylbromoacetyl)phenoxyacetate

생성물 1

HCID 18918574Methyl 4-[2-[4-(4-pyridyl)piperazin-1-yl]-2-methylacetyl]phenoxyacetate

출처 및 근거

ORD 기록: ord-cbda2e089b5d474cb8e055821356d2eb
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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