Dichloromethane → 4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-(4-piperazin-1-ylnaphthalen-1-yl)sulfonylpiperazine

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 178429938HCID 178429938, 화합물

생성물 1

HCID 1784299374-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-(4-piperazin-1-ylnaphthalen-1-yl)sulfonylpiperazine

출처 및 근거

ORD 기록: ord-11ba3895e5704ed0a35485d44e3391f7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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