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Carbonate Ion → N-(5-(5-isopropyl-2,4-dimethoxyphenyl)-4-(1-methyl-1H-indol-5-yl)-4H-1,2,4-triazol-3-yl)quinolin-6-amine

HRID 100180
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HRID 100180 반응식
[Br:30][c:31]1[cH:32][c:33]2[cH:34][cH:35][cH:36][n:37][c:38]2[cH:39][cH:40]1.[C:41](=[O:42])([O-:43])[O-:44].[CH3:1][O:2][c:3]1[c:4](-[c:14]2[n:15](-[c:20]3[cH:21][c:22]4[cH:23][cH:24][n:25]([CH3:29])[c:26]4[cH:27][cH:28]3)[c:16]([NH2:19])[n:17][n:18]2)[cH:5][c:6]([CH:11]([CH3:12])[CH3:13])[c:7]([O:9][CH3:10])[cH:8]1.[Cs+:45].[Cs+:46].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1>>[CH3:1][O:2][c:3]1[c:4](-[c:14]2[n:15](-[c:20]3[cH:21][c:22]4[cH:23][cH:24][n:25]([CH3:29])[c:26]4[cH:27][cH:28]3)[c:16]([NH:19][c:31]3[cH:32][c:33]4[cH:34][cH:35][cH:36][n:37][c:38]4[cH:39][cH:40]3)[n:17][n:18]2)[cH:5][c:6]([CH:11]([CH3:12])[CH3:13])[c:7]([O:9][CH3:10])[cH:8]1
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반응물 5

HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 792436-BromoquinolineHCID 104967Cesium cation2회HCID 669865895-(2,4-bismethoxy-5-isopropylphenyl)-4-(1-methyl-1H-indol-5-yl)-4H-1,2,4-triazol-3-amine

생성물 1

HCID 66986842
N-(5-(5-isopropyl-2,4-dimethoxyphenyl)-4-(1-methyl-1H-indol-5-yl)-4H-1,2,4-triazol-3-yl)quinolin-6-amine

출처 및 근거

ORD 기록
ord-3285e8775a564355bdf865392bbe7622
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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