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Chloride → 4-(2-Chlorophenyl)-1-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol

HRID 135778
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HRID 135778 반응식
[Br:8][c:9]1[c:10]([Cl:15])[cH:11][cH:12][cH:13][cH:14]1.[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[CH:4]([Mg+:5])([CH3:6])[CH3:7].[Cl-:1].[Cl-:3].[F:16][C:17]([c:18]1[n:19][n:20][c:21]2[n:22]1[n:23][c:24]([N:27]1[CH2:28][CH2:29][C:30](=[O:33])[CH2:31][CH2:32]1)[cH:25][cH:26]2)([F:34])[F:35].[Li+:2]>>[c:9]1([C:30]2([OH:33])[CH2:29][CH2:28][N:27]([c:24]3[n:23][n:22]4[c:18]([C:17]([F:16])([F:34])[F:35])[n:19][n:20][c:21]4[cH:26][cH:25]3)[CH2:32][CH2:31]2)[c:10]([Cl:15])[cH:11][cH:12][cH:13][cH:14]1
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HCID 312Chloride2회HCID 8028TetrahydrofuranHCID 127541-Bromo-2-chlorobenzeneHCID 28486Lithium CationHCID 595783691-[3-(Trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-oneHCID 178461726HCID 178461726, 화합물

생성물 1

출처 및 근거

ORD 기록
ord-2657e1c4fca947ae8c8fbee4647c2763
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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HCID 59149744
4-(2-Chlorophenyl)-1-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol