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Potassium Cation → Methyl 2-[4-[4-hydroxy-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]acetate

HRID 171210
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HRID 171210 반응식
[Br:1][CH2:2][C:3](=[O:4])[O:5][CH3:6].[C:34](=[O:35])([O-:36])[O-:37].[K+:38].[K+:39].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[OH:7][c:8]1[cH:9][cH:10][c:11]([C:14]2([OH:33])[CH2:15][CH2:16][N:17]([c:20]3[cH:21][cH:22][c:23]4[n:24]([n:25]3)[c:26]([C:29]([F:30])([F:31])[F:32])[n:27][n:28]4)[CH2:18][CH2:19]2)[cH:12][cH:13]1>>[CH2:2]([C:3](=[O:4])[O:5][CH3:6])[O:7][c:8]1[cH:9][cH:10][c:11]([C:14]2([OH:33])[CH2:15][CH2:16][N:17]([c:20]3[cH:21][cH:22][c:23]4[n:24]([n:25]3)[c:26]([C:29]([F:30])([F:31])[F:32])[n:27][n:28]4)[CH2:18][CH2:19]2)[cH:12][cH:13]1
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반응물 5

HCID 813Potassium Cation2회HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 60984Methyl bromoacetateHCID 667887034-(4-Hydroxyphenyl)-1-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol

생성물 1

HCID 67340075
Methyl 2-[4-[4-hydroxy-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]acetate

출처 및 근거

ORD 기록
ord-e3771ab87f4d4033813d56173a405c5a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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