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Sodium Ion → 6-[4-[4-[2-(4-Acetylpiperazin-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine

HRID 829760
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인쇄 미리보기

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HRID 829760 반응식
[C:43]([CH3:44])(=[O:45])[N:46]1[CH2:47][CH2:48][NH:49][CH2:50][CH2:51]1.[CH3:10][S:11]([O:12][CH2:15][CH2:16][O:17][c:18]1[cH:19][cH:20][c:21]([CH:24]2[CH2:25][CH2:26][N:27]([c:30]3[cH:31][cH:32][c:33]4[n:34]([n:35]3)[c:36]([C:39]([F:40])([F:41])[F:42])[n:37][n:38]4)[CH2:28][CH2:29]2)[cH:22][cH:23]1)(=[O:13])=[O:14].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Na+:53].[OH-:52]>>[CH2:15]([CH2:16][O:17][c:18]1[cH:19][cH:20][c:21]([CH:24]2[CH2:25][CH2:26][N:27]([c:30]3[cH:31][cH:32][c:33]4[n:34]([n:35]3)[c:36]([C:39]([F:40])([F:41])[F:42])[n:37][n:38]4)[CH2:28][CH2:29]2)[cH:22][cH:23]1)[N:49]1[CH2:48][CH2:47][N:46]([C:43]([CH3:44])=[O:45])[CH2:51][CH2:50]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 923Sodium IonHCID 961HydroxideHCID 81531DiisopropylethylamineHCID 837951-AcetylpiperazineHCID 866466942-(4-{1-[3-(Trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl}phenoxy)ethyl methanesulfonate

생성물 1

HCID 59149763
6-[4-[4-[2-(4-Acetylpiperazin-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine

출처 및 근거

ORD 기록
ord-175d3ec6dec849b8990af3cdb7641934
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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