Acetonitrile → Methyl 4-[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]phenylacetate

반응식

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

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 705171-(4-Pyridyl)piperazine

HCID 11128026Benzeneacetic acid, 4-(chloroacetyl)-, methyl ester

생성물 1

HCID 18918371Methyl 4-[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]phenylacetate

출처 및 근거

ORD 기록: ord-261351fd3cf342ec98e15b65076131e5
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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