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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Water → 1-(4-(2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1H-imidazol-1-yl)-2-methylpropan-2-ol

HRID 819466
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HRID 819466 반응식
[Br:32][c:33]1[n:34][cH:35][n:36]([CH2:38][C:39]([CH3:40])([OH:41])[CH3:42])[cH:37]1.[Br:43][c:44]1[n:45]([CH2:46][C:47]([CH3:48])([OH:49])[CH3:50])[cH:51][n:52][cH:53]1.[C:60](=[O:61])([O-:62])[O-:63].[CH3:54][O:55][CH2:56][CH2:57][O:58][CH3:59].[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[n:10][c:11]2[n:12]([cH:31]1)[CH2:13][CH2:14][O:15][c:16]1[c:17]-2[cH:18][cH:19][c:20]([B:22]2[O:23][C:24]([CH3:25])([CH3:26])[C:27]([CH3:28])([CH3:29])[O:30]2)[cH:21]1.[Cs+:64].[Cs+:65].[OH2:66]>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[n:10][c:11]2[n:12]([cH:31]1)[CH2:13][CH2:14][O:15][c:16]1[c:17]-2[cH:18][cH:19][c:20](-[c:33]2[n:34][cH:35][n:36]([CH2:38][C:39]([CH3:40])([OH:41])[CH3:42])[cH:37]2)[cH:21]1
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반응물 7

HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 582043401-(4-bromo-1H-imidazol-1-yl)-2-methylpropan-2-olHCID 582047132-(1-isopropyl-1H-1,2,4-triazol-5-yl)-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine
HCID 58204721
1-(5-bromo-1H-imidazol-1-yl)-2-methylpropan-2-ol

생성물 1

HCID 582050231-(4-(2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1H-imidazol-1-yl)-2-methylpropan-2-ol

출처 및 근거

ORD 기록
ord-ebb47ffbdb214e7eafe4b9294d437345
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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