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Potassium Cation → (4,4-Difluoropiperidin-1-yl)-[2-methyl-4-[1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-yl]piperazin-1-yl]methanone

HRID 176960
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HRID 176960 반응식
[C:53](=[O:54])([O-:55])[O-:56].[CH3:59][N:60]([CH3:61])[c:62]1[cH:63][cH:64][n:65][cH:66][cH:67]1.[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[CH3:6][CH:7]1[CH2:8][N:9]([c:13]2[n:14][n:15][c:16](-[c:23]3[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]3)[c:17]3[c:18]2[cH:19][n:20][cH:21][cH:22]3)[CH2:10][CH2:11][NH:12]1.[F:33][C:34]1([F:52])[CH2:35][CH2:36][N:37]([C:40](=[O:41])[O:42][c:43]2[cH:44][cH:45][c:46]([N+:47]([O-:48])=[O:49])[cH:50][cH:51]2)[CH2:38][CH2:39]1.[K+:57].[K+:58].[O:1]=[CH:2][N:3]([CH3:4])[CH3:5]>>[CH3:6][CH:7]1[CH2:8][N:9]([c:13]2[n:14][n:15][c:16](-[c:23]3[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]3)[c:17]3[c:18]2[cH:19][n:20][cH:21][cH:22]3)[CH2:10][CH2:11][N:12]1[C:40]([N:37]1[CH2:36][CH2:35][C:34]([F:33])([F:52])[CH2:39][CH2:38]1)=[O:41]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 813Potassium Cation2회HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 142844-(Dimethylamino)pyridineHCID 19660Carbonate IonHCID 576576134-Nitrophenyl 4,4-difluoropiperidin-1-carboxylateHCID 68747503
4-(3-Methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazine

생성물 1

HCID 68749740(4,4-Difluoropiperidin-1-yl)-[2-methyl-4-[1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-yl]piperazin-1-yl]methanone

출처 및 근거

ORD 기록
ord-55ba89a9c32e4b8195068f9388b90de7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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