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Potassium Cation → 2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-8-{1-[2-(tetrahydro-pyran-2-yloxy)-ethyl]-piperidin-4-yl}-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene

HRID 960869
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HRID 960869 반응식
[Br:29][CH2:30][CH2:31][O:32][CH:33]1[O:34][CH2:35][CH2:36][CH2:37][CH2:38]1.[C:39](=[O:40])([O-:41])[O-:42].[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[s:10][c:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21]([CH:23]3[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2.[Cl:50][CH2:51][Cl:52].[K+:43].[K+:44].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[s:10][c:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21]([CH:23]3[CH2:24][CH2:25][N:26]([CH2:30][CH2:31][O:32][CH:33]4[O:34][CH2:35][CH2:36][CH2:37][CH2:38]4)[CH2:27][CH2:28]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 813Potassium Cation2회HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 866212-(2-Bromoethoxy)tetrahydro-2H-pyranHCID 582037792-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-8-piperidin-4-yl-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene

생성물 1

HCID 58203894
2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-8-{1-[2-(tetrahydro-pyran-2-yloxy)-ethyl]-piperidin-4-yl}-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene

출처 및 근거

ORD 기록
ord-da4ff8151c5844fca2414659639b2653
출처 데이터셋
Validation data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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