4-(1-Pyrrolidinyl)piperidine → [4-Chloro-3-methyl-5-(3-trifluoromethyl-phenyl)-pyridin-2-yl]-(4-pyrrolidin-1-yl-piperidin-1-yl)-methanone

HRID 126620

반응식

HRID 126620 반응식
[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][cH:7][c:8](-[c:13]2[cH:14][c:15]([C:19]([F:20])([F:21])[F:22])[cH:16][cH:17][cH:18]2)[c:9]([Cl:12])[c:10]1[CH3:11].[CH3:23][c:24]1[c:25]([C:26]([OH:27])=[O:28])[n:29][cH:30][c:31](-[c:32]2[cH:33][cH:34][cH:35][c:36]([C:37]([F:38])([F:39])[F:40])[cH:41]2)[cH:42]1.[N:43]1([CH:48]2[CH2:49][CH2:50][NH:51][CH2:52][CH2:53]2)[CH2:44][CH2:45][CH2:46][CH2:47]1>>[C:3](=[O:4])([c:5]1[n:6][cH:7][c:8](-[c:13]2[cH:14][c:15]([C:19]([F:20])([F:21])[F:22])[cH:16][cH:17][cH:18]2)[c:9]([Cl:12])[c:10]1[CH3:11])[N:51]1[CH2:50][CH2:49][CH:48]([N:43]2[CH2:44][CH2:45][CH2:46][CH2:47]2)[CH2:53][CH2:52]1

참가 물질

4

반응물 3

HCID 787034-(1-Pyrrolidinyl)piperidineHCID 574411243-Methyl-5-(3-trifluoromethyl-phenyl)-pyridine-2-carboxylic acidHCID 670253894-Chloro-3-methyl-5-(3-trifluoromethyl-phenyl)-pyridine-2-carboxylic acid methyl ester

생성물 1

HCID 57441144[4-Chloro-3-methyl-5-(3-trifluoromethyl-phenyl)-pyridin-2-yl]-(4-pyrrolidin-1-yl-piperidin-1-yl)-methanone

출처 및 근거

ORD 기록
ord-f32e774ba0ad412eae51598f096563c8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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