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Dichloromethane → 6-[4-[4-[3-(Piperazin-1-yl)propoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine

HRID 684740
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인쇄 미리보기

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HRID 684740 반응식
[Cl:50][CH2:51][Cl:52].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[F:8][C:9]([c:10]1[n:11][n:12][c:13]2[n:14]1[N:15]=[C:16]([N:19]1[CH2:20][CH2:21][CH:22]([c:25]3[cH:26][cH:27][c:28]([O:29][CH2:30][CH2:31][CH2:32][N:33]4[CH2:34][CH2:35][N:36]([C:39]([O:40][C:41]([CH3:42])([CH3:43])[CH3:44])=[O:45])[CH2:37][CH2:38]4)[cH:46][cH:47]3)[CH2:23][CH2:24]1)[CH2:17][CH2:18]2)([F:48])[F:49]>>[F:8][C:9]([c:10]1[n:11][n:12][c:13]2[n:14]1[N:15]=[C:16]([N:19]1[CH2:20][CH2:21][CH:22]([c:25]3[cH:26][cH:27][c:28]([O:29][CH2:30][CH2:31][CH2:32][N:33]4[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]4)[cH:46][cH:47]3)[CH2:23][CH2:24]1)[CH2:17][CH2:18]2)([F:48])[F:49]
참가 물질출처 및 근거반응 노트

참가 물질

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반응물 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 68500212Tert-butyl 4-[3-[4-(1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]phenoxy]propyl]piperazine-1-carboxylate

생성물 1

HCID 685023596-[4-[4-[3-(Piperazin-1-yl)propoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine

출처 및 근거

ORD 기록
ord-efa3b1f4a3ae499980e354cc0e544f92
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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