Acetone → 3-[(2,4-Dichlorophenyl)methyl]-1-(2-methyl-4-oxocyclohexyl)pyrrolidin-2-one

반응식

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

참가 물질

반응물 3

HCID 180Acetone

HCID 6101p-Toluenesulfonic acid

HCID 684723153-[(2,4-Dichlorophenyl)methyl]-1-(7-methyl-1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidin-2-one

생성물 1

HCID 592993633-[(2,4-Dichlorophenyl)methyl]-1-(2-methyl-4-oxocyclohexyl)pyrrolidin-2-one

출처 및 근거

ORD 기록: ord-482042a84465485184054107031c80e0
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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