Toluene → Ethyl 2-[1-[2-(4-cyanophenyl)-2-oxoethyl]piperidin-3-yl]acetate

HRID 156379

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 986544-(Bromoacetyl)benzonitrile

HCID 2760464Ethyl 2-(piperidin-3-yl)acetate

생성물 1

HCID 76738015Ethyl 2-[1-[2-(4-cyanophenyl)-2-oxoethyl]piperidin-3-yl]acetate

출처 및 근거

ORD 기록: ord-35b7350e7a5b491dab71d5ec20bafd17
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

연결된 노트

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