1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine → (RS)-1-Benzenesulfonyl-3-cyclohexyl-4-[4-(3-trifluoromethyl-pyridin-2-yl)-piperazine-1-carbonyl]-imidazolidin-2-one

반응식

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

참가 물질

반응물 2

HCID 27777861-[3-(Trifluoromethyl)pyridin-2-yl]piperazine

HCID 67141201(RS)-1-benzenesulfonyl-3-cyclohexyl-2-oxo-imidazolidine-4-carboxylic acid

생성물 1

HCID 25029291(RS)-1-Benzenesulfonyl-3-cyclohexyl-4-[4-(3-trifluoromethyl-pyridin-2-yl)-piperazine-1-carbonyl]-imidazolidin-2-one

출처 및 근거

ORD 기록: ord-cfc3c1a28df14051964d27a3647af50d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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