Iodide Ion → 2-Methoxy-6-methylsulfanyl-N-[(1RS,2SR)-2-(4-oxo-piperidin-1-yl)-cyclopentyl]-4-trifluoromethyl-benzamide

반응식

[CH2:25]([N+:26]1([CH3:27])[CH2:28][CH2:29][C:30](=[O:33])[CH2:31][CH2:32]1)[CH3:34].[I-:24].[NH2:1][CH:2]1[CH:3]([NH:7][C:8]([c:9]2[c:10]([O:21][CH3:22])[cH:11][c:12]([C:17]([F:18])([F:19])[F:20])[cH:13][c:14]2[S:15][CH3:16])=[O:23])[CH2:4][CH2:5][CH2:6]1>>[N:1]1([CH:2]2[CH:3]([NH:7][C:8]([c:9]3[c:10]([O:21][CH3:22])[cH:11][c:12]([C:17]([F:18])([F:19])[F:20])[cH:13][c:14]3[S:15][CH3:16])=[O:23])[CH2:4][CH2:5][CH2:6]2)[CH2:28][CH2:29][C:30](=[O:33])[CH2:31][CH2:32]1

참가 물질

반응물 3

HCID 30165Iodide Ion

HCID 11097569N-ethyl-N-methyl-4-oxo-piperidinium

HCID 66681196N-((1RS,2SR)-2-Amino-cyclopentyl)-2-methoxy-6-methylsulfanyl-4-trifluoromethyl-benzamide

생성물 1

HCID 666812552-Methoxy-6-methylsulfanyl-N-[(1RS,2SR)-2-(4-oxo-piperidin-1-yl)-cyclopentyl]-4-trifluoromethyl-benzamide

출처 및 근거

ORD 기록: ord-d424c148b13b4bfe9af1014c83baad31
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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