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

HRID 1145826

반응식

HRID 1145826 반응식
[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][cH:7][c:8](-[c:21]2[cH:22][c:23]([C:27]([F:28])([F:29])[F:30])[cH:24][cH:25][cH:26]2)[cH:9][c:10]1-[c:11]1[cH:12][c:13]([C:17]([F:18])([F:19])[F:20])[cH:14][cH:15][cH:16]1.[CH3:31][c:32]1[c:33]([C:34]([OH:35])=[O:36])[n:37][cH:38][c:39](-[c:40]2[cH:41][cH:42][cH:43][c:44]([C:45]([F:46])([F:47])[F:48])[cH:49]2)[cH:50]1.[N:51]1([CH:56]2[CH2:57][CH2:58][NH:59][CH2:60][CH2:61]2)[CH2:52][CH2:53][CH2:54][CH2:55]1>>[O:2]=[C:3]([c:5]1[n:6][cH:7][c:8](-[c:21]2[cH:22][c:23]([C:27]([F:28])([F:29])[F:30])[cH:24][cH:25][cH:26]2)[cH:9][c:10]1-[c:11]1[cH:12][c:13]([C:17]([F:18])([F:19])[F:20])[cH:14][cH:15][cH:16]1)[N:59]1[CH2:58][CH2:57][CH:56]([N:51]2[CH2:52][CH2:53][CH2:54][CH2:55]2)[CH2:61][CH2:60]1

참가 물질

4

반응물 3

HCID 787034-(1-Pyrrolidinyl)piperidineHCID 574411243-Methyl-5-(3-trifluoromethyl-phenyl)-pyridine-2-carboxylic acidHCID 574411353,5-Bis-(3-trifluoromethyl-phenyl)-pyridine-2-carboxylic acid methyl ester

생성물 1

HCID 58016720[3,5-Bis-(3-trifluoromethyl-phenyl)-pyridin-2-yl]-(4-pyrrolidin-1-yl-piperidin-1-yl)-methanone

출처 및 근거

ORD 기록
ord-4e80c4c2cd8045e8a904d53316a8b4be
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

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