Acetonitrile → Ethyl 4-[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]phenoxyacetate

반응식

[Br:1][CH2:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([O:9][CH2:10][C:11](=[O:12])[O:13][CH2:14][CH3:15])[cH:16][cH:17]1.[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>>[CH2:2]([C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([O:9][CH2:10][C:11](=[O:12])[O:13][CH2:14][CH3:15])[cH:16][cH:17]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 18408936Ethyl 2-[4-(2-bromoacetyl)phenoxy]acetate

생성물 1

HCID 18918266Ethyl 4-[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]phenoxyacetate

출처 및 근거

ORD 기록: ord-9d5a4dd69acb4292b9c0de1c94bbec9a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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