Diethyl Ether → 5-(3-Chlorophenyl)-6-(4-chlorophenyl)-1-(1-hydroxybutan-2-yl)-3-methyl-3-prop-2-enylpiperidin-2-one

반응식

[CH2:1]([CH:2]=[CH2:3])[C:4]1([CH3:32])[C:5](=[O:31])[N:6]([CH:24]([C:25](=[O:26])[O:27][CH3:28])[CH2:29][CH3:30])[CH:7]([c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]2)[CH:8]([c:10]2[cH:11][c:12]([Cl:16])[cH:13][cH:14][cH:15]2)[CH2:9]1.[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH3:33][CH2:34][O:35][CH2:36][CH3:37]>>[CH2:1]([CH:2]=[CH2:3])[C:4]1([CH3:32])[C:5](=[O:31])[N:6]([CH:24]([CH2:25][OH:26])[CH2:29][CH3:30])[CH:7]([c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]2)[CH:8]([c:10]2[cH:11][c:12]([Cl:16])[cH:13][cH:14][cH:15]2)[CH2:9]1

참가 물질

반응물 3

HCID 3283Diethyl Ether

HCID 8028Tetrahydrofuran

HCID 76834441HCID 76834441, 화합물

생성물 1

HCID 768344715-(3-Chlorophenyl)-6-(4-chlorophenyl)-1-(1-hydroxybutan-2-yl)-3-methyl-3-prop-2-enylpiperidin-2-one

출처 및 근거

ORD 기록: ord-79e5f427a35d475fa2b96b97dee7bf25
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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