4-Hydroxypyrrolidine → 1-(4-(4-(2-Methoxy-phenylsulfanyl)-3-trifluoromethyl-phenyl)-pyridin-2-yl)-4-propyl-piperazine

HRID 288595

반응식

HRID 288595 반응식
[CH2:33]([CH2:34][CH3:35])[N:36]1[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[cH:9][c:10]([C:23]([F:24])([F:25])[F:26])[c:11]([S:14][c:15]3[c:16]([O:21][CH3:22])[cH:17][cH:18][cH:19][cH:20]3)[cH:12][cH:13]2)[cH:7]1.[OH:27][CH:28]1[CH2:29][CH2:30][NH:31][CH2:32]1>>[c:2]1([N:39]2[CH2:38][CH2:37][N:36]([CH2:33][CH2:34][CH3:35])[CH2:41][CH2:40]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[cH:9][c:10]([C:23]([F:24])([F:25])[F:26])[c:11]([S:14][c:15]3[c:16]([O:21][CH3:22])[cH:17][cH:18][cH:19][cH:20]3)[cH:12][cH:13]2)[cH:7]1

참가 물질

4

반응물 3

HCID 982104-HydroxypyrrolidineHCID 415812Piperazine, 1-propyl-, hydrochloride (1:2)HCID 219068092-Chloro-4-(4-(2-methoxy-phenylsulfanyl)-3-trifluoromethyl-phenyl)-pyridine

생성물 1

HCID 219067901-(4-(4-(2-Methoxy-phenylsulfanyl)-3-trifluoromethyl-phenyl)-pyridin-2-yl)-4-propyl-piperazine

출처 및 근거

ORD 기록
ord-50231007edd349c589d3cb82a84fb108
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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